N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1,2-oxazole-3-carboxamide

C18H23N7O2 — CID 175478859

IUPACN-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1,2-oxazole-3-carboxamide
SMILESCCCCC(C)(CNC(=O)c1ccon1)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C18H23N7O2/c1-3-4-8-18(2,11-21-16(26)13-7-10-27-25-13)24-15-14-12(6-5-9-20-14)22-17(19)23-15/h5-7,9-10H,3-4,8,11H2,1-2H3,(H,21,26)(H3,19,22,23,24)
InChIKeyIOPNJZNLZSKXEM-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.39
Rot. Bonds8

About N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1,2-oxazole-3-carboxamide

N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1,2-oxazole-3-carboxamide (PubChem CID 175478859) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1,2-oxazole-3-carboxamide
PubChem CID175478859
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC NameN-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1,2-oxazole-3-carboxamide
SMILESCCCCC(C)(CNC(=O)c1ccon1)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C18H23N7O2/c1-3-4-8-18(2,11-21-16(26)13-7-10-27-25-13)24-15-14-12(6-5-9-20-14)22-17(19)23-15/h5-7,9-10H,3-4,8,11H2,1-2H3,(H,21,26)(H3,19,22,23,24)
InChIKeyIOPNJZNLZSKXEM-UHFFFAOYSA-N
XLogP2.39
TPSA131.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1,2-oxazole-3-carboxamide (CID 175478859) is N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1,2-oxazole-3-carboxamide is CCCCC(C)(CNC(=O)c1ccon1)Nc1nc(N)nc2cccnc12.
What is the InChIKey of N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1,2-oxazole-3-carboxamide?
The InChIKey is IOPNJZNLZSKXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-3-4-8-18(2,11-21-16(26)13-7-10-27-25-13)24-15-14-12(6-5-9-20-14)22-17(19)23-15/h5-7,9-10H,3-4,8,11H2,1-2H3,(H,21,26)(H3,19,22,23,24).
What are the key properties of N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1,2-oxazole-3-carboxamide?
N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1,2-oxazole-3-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 2.39, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 175478859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).