N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methoxy-N-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-2-amine

C29H40N6O2Si — CID 151521582

IUPACN-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methoxy-N-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-2-amine
SMILESCOc1nc(N(C)CCCO[Si](C)(C)C(C)(C)C)ncc1-c1ccc(Cc2c[nH]c3ncccc23)c(C)n1
InChIInChI=1S/C29H40N6O2Si/c1-20-21(17-22-18-31-26-23(22)11-9-14-30-26)12-13-25(33-20)24-19-32-28(34-27(24)36-6)35(5)15-10-16-37-38(7,8)29(2,3)4/h9,11-14,18-19H,10,15-17H2,1-8H3,(H,30,31)
InChIKeyPUPBGZGCAXJBOI-UHFFFAOYSA-N
MW532.77 g/mol
LogP6.17
Rot. Bonds10

About N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methoxy-N-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-2-amine

N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methoxy-N-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-2-amine (PubChem CID 151521582) has the molecular formula C29H40N6O2Si and a molecular weight of 532.77 g/mol. Its IUPAC name is N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methoxy-N-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methoxy-N-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-2-amine
PubChem CID151521582
Molecular FormulaC29H40N6O2Si
Molecular Weight532.77 g/mol
Exact Mass532.30
IUPAC NameN-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methoxy-N-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-2-amine
SMILESCOc1nc(N(C)CCCO[Si](C)(C)C(C)(C)C)ncc1-c1ccc(Cc2c[nH]c3ncccc23)c(C)n1
InChIInChI=1S/C29H40N6O2Si/c1-20-21(17-22-18-31-26-23(22)11-9-14-30-26)12-13-25(33-20)24-19-32-28(34-27(24)36-6)35(5)15-10-16-37-38(7,8)29(2,3)4/h9,11-14,18-19H,10,15-17H2,1-8H3,(H,30,31)
InChIKeyPUPBGZGCAXJBOI-UHFFFAOYSA-N
XLogP6.17
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.77
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methoxy-N-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-2-amine with MolForge

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Related Compounds

Plx-5622
CID 52936034
Meriolin 3
CID 23727981
Meriolin 5
CID 23727982
Rwj-68354
CID 9819053
Meriolin 6
CID 24801185
Meriolin 4
CID 24801697
2-(4-(2-(2-methoxypyridin-3-yl)-3H-imidazo[4,5-b]pyridin-6-yl)piperidin-1-yl)-N-methylethanamine
CID 45487354
Meriolin 7
CID 24801186
(2S)-2-[[6-(3-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 162651768
8-(2-Aminopyrimidin-4-yl)-6-methoxy-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10,12-hexaen-13-amine
CID 9922607
4-butoxy-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 10833355
4-methoxy-3-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 24799078

Frequently Asked Questions

What is the IUPAC name of N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methoxy-N-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methoxy-N-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-2-amine (CID 151521582) is N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methoxy-N-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methoxy-N-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methoxy-N-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-2-amine is COc1nc(N(C)CCCO[Si](C)(C)C(C)(C)C)ncc1-c1ccc(Cc2c[nH]c3ncccc23)c(C)n1.
What is the InChIKey of N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methoxy-N-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is PUPBGZGCAXJBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N6O2Si/c1-20-21(17-22-18-31-26-23(22)11-9-14-30-26)12-13-25(33-20)24-19-32-28(34-27(24)36-6)35(5)15-10-16-37-38(7,8)29(2,3)4/h9,11-14,18-19H,10,15-17H2,1-8H3,(H,30,31).
What are the key properties of N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methoxy-N-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-2-amine?
N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methoxy-N-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 532.77 g/mol, XLogP of 6.17, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methoxy-N-methyl-5-[6-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 151521582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).