4-[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine

C17H16N6O2 — CID 166635400

IUPAC4-[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine
SMILESCc1nc(OCc2cc(C)on2)c2c(-c3ccnc(N)c3)c[nH]c2n1
InChIInChI=1S/C17H16N6O2/c1-9-5-12(23-25-9)8-24-17-15-13(11-3-4-19-14(18)6-11)7-20-16(15)21-10(2)22-17/h3-7H,8H2,1-2H3,(H2,18,19)(H,20,21,22)
InChIKeyCIJWGWNHXQYIJC-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.79
Rot. Bonds4

About 4-[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine

4-[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine (PubChem CID 166635400) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 4-[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine
PubChem CID166635400
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name4-[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine
SMILESCc1nc(OCc2cc(C)on2)c2c(-c3ccnc(N)c3)c[nH]c2n1
InChIInChI=1S/C17H16N6O2/c1-9-5-12(23-25-9)8-24-17-15-13(11-3-4-19-14(18)6-11)7-20-16(15)21-10(2)22-17/h3-7H,8H2,1-2H3,(H2,18,19)(H,20,21,22)
InChIKeyCIJWGWNHXQYIJC-UHFFFAOYSA-N
XLogP2.79
TPSA115.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethyl-6-[5-(furan-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 25165372
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]urea
CID 135271569
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
CID 3234883
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
CID 3235123
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
CID 3235215
2-[3-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,N-dimethylethanamine
CID 71454002
1-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-(pyridin-2-ylmethoxy)pyrazolo[5,4-b]pyridine-3-carboxamide
CID 76318078
N-(5-tert-butyl-1,2-oxazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)pyrrolo[2,3-b]pyridine-1-carboxamide
CID 127045352
5-(2-amino-4-pyridinyl)-N-(furan-3-ylmethyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166634739
4-[3-[(5-fluoro-2-methoxy-3-pyridyl)-methoxy-methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-isoxazole
CID 86267506
[5-(3,5-dimethylisoxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridyl]methanol
CID 86267507
3-{4-[2-(3-methyl-1,2-oxazol-5-yl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile
CID 86706976

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine?
The IUPAC name of 4-[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine (CID 166635400) is 4-[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine.
What is the SMILES notation for 4-[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine?
The canonical SMILES for 4-[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine is Cc1nc(OCc2cc(C)on2)c2c(-c3ccnc(N)c3)c[nH]c2n1.
What is the InChIKey of 4-[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine?
The InChIKey is CIJWGWNHXQYIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c1-9-5-12(23-25-9)8-24-17-15-13(11-3-4-19-14(18)6-11)7-20-16(15)21-10(2)22-17/h3-7H,8H2,1-2H3,(H2,18,19)(H,20,21,22).
What are the key properties of 4-[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine?
4-[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine has a molecular weight of 336.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine is sourced from PubChem (CID 166635400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).