1-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-2-methylpropan-2-ol

C19H26ClN5O2 — CID 88579415

IUPAC1-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-2-methylpropan-2-ol
SMILESCOc1c(C)cnc(CN2CC(CC(C)(C)O)c3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C19H26ClN5O2/c1-10-7-22-13(11(2)15(10)27-5)9-25-8-12(6-19(3,4)26)14-16(20)23-18(21)24-17(14)25/h7,12,26H,6,8-9H2,1-5H3,(H2,21,23,24)
InChIKeyPJOKFUBDMFONED-UHFFFAOYSA-N
MW391.90 g/mol
LogP3.00
Rot. Bonds5

About 1-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-2-methylpropan-2-ol

1-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-2-methylpropan-2-ol (PubChem CID 88579415) has the molecular formula C19H26ClN5O2 and a molecular weight of 391.90 g/mol. Its IUPAC name is 1-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-2-methylpropan-2-ol
PubChem CID88579415
Molecular FormulaC19H26ClN5O2
Molecular Weight391.90 g/mol
Exact Mass391.18
IUPAC Name1-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-2-methylpropan-2-ol
SMILESCOc1c(C)cnc(CN2CC(CC(C)(C)O)c3c(Cl)nc(N)nc32)c1C
InChIInChI=1S/C19H26ClN5O2/c1-10-7-22-13(11(2)15(10)27-5)9-25-8-12(6-19(3,4)26)14-16(20)23-18(21)24-17(14)25/h7,12,26H,6,8-9H2,1-5H3,(H2,21,23,24)
InChIKeyPJOKFUBDMFONED-UHFFFAOYSA-N
XLogP3.00
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-2-methylpropan-2-ol (CID 88579415) is 1-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-2-methylpropan-2-ol is COc1c(C)cnc(CN2CC(CC(C)(C)O)c3c(Cl)nc(N)nc32)c1C.
What is the InChIKey of 1-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-2-methylpropan-2-ol?
The InChIKey is PJOKFUBDMFONED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5O2/c1-10-7-22-13(11(2)15(10)27-5)9-25-8-12(6-19(3,4)26)14-16(20)23-18(21)24-17(14)25/h7,12,26H,6,8-9H2,1-5H3,(H2,21,23,24).
What are the key properties of 1-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-2-methylpropan-2-ol?
1-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-2-methylpropan-2-ol has a molecular weight of 391.90 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-chloro-7-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 88579415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).