6-[[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide

C19H19N7O2 — CID 126585792

IUPAC6-[[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide
SMILESCc1nc(NCc2cc(C)on2)c2c(ccn2Cc2cccc(C(N)=O)n2)n1
InChIInChI=1S/C19H19N7O2/c1-11-8-14(25-28-11)9-21-19-17-15(22-12(2)23-19)6-7-26(17)10-13-4-3-5-16(24-13)18(20)27/h3-8H,9-10H2,1-2H3,(H2,20,27)(H,21,22,23)
InChIKeyXRBLHUPHWYWHMU-UHFFFAOYSA-N
MW377.41 g/mol
LogP2.19
Rot. Bonds6

About 6-[[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide

6-[[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide (PubChem CID 126585792) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 6-[[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide
PubChem CID126585792
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name6-[[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide
SMILESCc1nc(NCc2cc(C)on2)c2c(ccn2Cc2cccc(C(N)=O)n2)n1
InChIInChI=1S/C19H19N7O2/c1-11-8-14(25-28-11)9-21-19-17-15(22-12(2)23-19)6-7-26(17)10-13-4-3-5-16(24-13)18(20)27/h3-8H,9-10H2,1-2H3,(H2,20,27)(H,21,22,23)
InChIKeyXRBLHUPHWYWHMU-UHFFFAOYSA-N
XLogP2.19
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-[[2-methyl-4-[(4-methyl-2-methyliminopent-3-enyl)amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide
CID 134293806
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine
CID 126585667
2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
CID 126585795
6-N,2,5-trimethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80813482
3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoxaline-2,3-diamine
CID 102983976
3-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]propan-1-ol
CID 126585719
6-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
CID 55052384
3-amino-2-[(5-methyl-1,2-oxazol-3-yl)methylamino]benzoic acid
CID 112578662
N-butyl-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine
CID 126585768
4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]benzamide
CID 47124661
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]ethanamine
CID 102916721
5-benzyl-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;3-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol;N-butyl-2-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-[[2-methyl-5-(2-methylpropyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol;2-[[2-methyl-5-(pyridazin-3-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]hexan-1-ol;2-[[2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 158534510

Frequently Asked Questions

What is the IUPAC name of 6-[[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 6-[[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide (CID 126585792) is 6-[[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide is Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2cccc(C(N)=O)n2)n1.
What is the InChIKey of 6-[[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide?
The InChIKey is XRBLHUPHWYWHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-11-8-14(25-28-11)9-21-19-17-15(22-12(2)23-19)6-7-26(17)10-13-4-3-5-16(24-13)18(20)27/h3-8H,9-10H2,1-2H3,(H2,20,27)(H,21,22,23).
What are the key properties of 6-[[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide?
6-[[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide has a molecular weight of 377.41 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 126585792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).