N-[1-tert-butyl-3-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]pyrazol-5-yl]-2-methylpyrimidin-4-amine

C23H39N5OSi — CID 175929455

IUPACN-[1-tert-butyl-3-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]pyrazol-5-yl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(Nc2cc([C@H]3CC[C@@H](O[Si](C)(C)C(C)(C)C)C3)nn2C(C)(C)C)n1
InChIInChI=1S/C23H39N5OSi/c1-16-24-13-12-20(25-16)26-21-15-19(27-28(21)22(2,3)4)17-10-11-18(14-17)29-30(8,9)23(5,6)7/h12-13,15,17-18H,10-11,14H2,1-9H3,(H,24,25,26)/t17-,18+/m0/s1
InChIKeyFSTSNCAXUIXYHD-ZWKOTPCHSA-N
MW429.69 g/mol
LogP6.14
Rot. Bonds5

About N-[1-tert-butyl-3-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]pyrazol-5-yl]-2-methylpyrimidin-4-amine

N-[1-tert-butyl-3-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]pyrazol-5-yl]-2-methylpyrimidin-4-amine (PubChem CID 175929455) has the molecular formula C23H39N5OSi and a molecular weight of 429.69 g/mol. Its IUPAC name is N-[1-tert-butyl-3-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]pyrazol-5-yl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-tert-butyl-3-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]pyrazol-5-yl]-2-methylpyrimidin-4-amine
PubChem CID175929455
Molecular FormulaC23H39N5OSi
Molecular Weight429.69 g/mol
Exact Mass429.29
IUPAC NameN-[1-tert-butyl-3-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]pyrazol-5-yl]-2-methylpyrimidin-4-amine
SMILESCc1nccc(Nc2cc([C@H]3CC[C@@H](O[Si](C)(C)C(C)(C)C)C3)nn2C(C)(C)C)n1
InChIInChI=1S/C23H39N5OSi/c1-16-24-13-12-20(25-16)26-21-15-19(27-28(21)22(2,3)4)17-10-11-18(14-17)29-30(8,9)23(5,6)7/h12-13,15,17-18H,10-11,14H2,1-9H3,(H,24,25,26)/t17-,18+/m0/s1
InChIKeyFSTSNCAXUIXYHD-ZWKOTPCHSA-N
XLogP6.14
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.69
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-tert-butyl-3-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]pyrazol-5-yl]-2-methylpyrimidin-4-amine?
The IUPAC name of N-[1-tert-butyl-3-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]pyrazol-5-yl]-2-methylpyrimidin-4-amine (CID 175929455) is N-[1-tert-butyl-3-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]pyrazol-5-yl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-tert-butyl-3-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]pyrazol-5-yl]-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-tert-butyl-3-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]pyrazol-5-yl]-2-methylpyrimidin-4-amine is Cc1nccc(Nc2cc([C@H]3CC[C@@H](O[Si](C)(C)C(C)(C)C)C3)nn2C(C)(C)C)n1.
What is the InChIKey of N-[1-tert-butyl-3-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]pyrazol-5-yl]-2-methylpyrimidin-4-amine?
The InChIKey is FSTSNCAXUIXYHD-ZWKOTPCHSA-N. The full InChI is InChI=1S/C23H39N5OSi/c1-16-24-13-12-20(25-16)26-21-15-19(27-28(21)22(2,3)4)17-10-11-18(14-17)29-30(8,9)23(5,6)7/h12-13,15,17-18H,10-11,14H2,1-9H3,(H,24,25,26)/t17-,18+/m0/s1.
What are the key properties of N-[1-tert-butyl-3-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]pyrazol-5-yl]-2-methylpyrimidin-4-amine?
N-[1-tert-butyl-3-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]pyrazol-5-yl]-2-methylpyrimidin-4-amine has a molecular weight of 429.69 g/mol, XLogP of 6.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-tert-butyl-3-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]pyrazol-5-yl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 175929455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).