N,2,5-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

C17H16N6O2 — CID 72871521

IUPACN,2,5-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESCc1nc(N(C)Cc2cc(-c3ccccn3)no2)c2nc(C)oc2n1
InChIInChI=1S/C17H16N6O2/c1-10-19-16(15-17(20-10)24-11(2)21-15)23(3)9-12-8-14(22-25-12)13-6-4-5-7-18-13/h4-8H,9H2,1-3H3
InChIKeySIKRCKLFYHEDPS-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.92
Rot. Bonds4

About N,2,5-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

N,2,5-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (PubChem CID 72871521) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is N,2,5-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN,2,5-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
PubChem CID72871521
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC NameN,2,5-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESCc1nc(N(C)Cc2cc(-c3ccccn3)no2)c2nc(C)oc2n1
InChIInChI=1S/C17H16N6O2/c1-10-19-16(15-17(20-10)24-11(2)21-15)23(3)9-12-8-14(22-25-12)13-6-4-5-7-18-13/h4-8H,9H2,1-3H3
InChIKeySIKRCKLFYHEDPS-UHFFFAOYSA-N
XLogP2.92
TPSA93.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,2,5-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine with MolForge

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Launch Full Analysis

Related Compounds

5-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine
CID 134704491
N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
CID 77084858
1-[2-[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 50967386
N-methyl-1-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]methanesulfonamide
CID 131893335
N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
CID 135116476
6-methyl-3-[[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1H-quinolin-2-one
CID 56714804
N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 134713150
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
CID 74243670
N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
CID 171686507
4-pyridin-2-yl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine
CID 72844380
N,3,6-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 70760489
N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 131925280

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N,2,5-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (CID 72871521) is N,2,5-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for N,2,5-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N,2,5-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is Cc1nc(N(C)Cc2cc(-c3ccccn3)no2)c2nc(C)oc2n1.
What is the InChIKey of N,2,5-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is SIKRCKLFYHEDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c1-10-19-16(15-17(20-10)24-11(2)21-15)23(3)9-12-8-14(22-25-12)13-6-4-5-7-18-13/h4-8H,9H2,1-3H3.
What are the key properties of N,2,5-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
N,2,5-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 336.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 72871521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).