N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]pyridine-4-carboxamide

C24H22N6O2 — CID 11846630

IUPACN-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]pyridine-4-carboxamide
SMILESNc1nc(N)c(-c2ccc(NC(=O)c3ccncc3)cc2)c(COCc2ccccc2)n1
InChIInChI=1S/C24H22N6O2/c25-22-21(20(29-24(26)30-22)15-32-14-16-4-2-1-3-5-16)17-6-8-19(9-7-17)28-23(31)18-10-12-27-13-11-18/h1-13H,14-15H2,(H,28,31)(H4,25,26,29,30)
InChIKeyVARCCLXJDPYZBP-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.67
Rot. Bonds7

About N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]pyridine-4-carboxamide

N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]pyridine-4-carboxamide (PubChem CID 11846630) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]pyridine-4-carboxamide
PubChem CID11846630
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC NameN-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]pyridine-4-carboxamide
SMILESNc1nc(N)c(-c2ccc(NC(=O)c3ccncc3)cc2)c(COCc2ccccc2)n1
InChIInChI=1S/C24H22N6O2/c25-22-21(20(29-24(26)30-22)15-32-14-16-4-2-1-3-5-16)17-6-8-19(9-7-17)28-23(31)18-10-12-27-13-11-18/h1-13H,14-15H2,(H,28,31)(H4,25,26,29,30)
InChIKeyVARCCLXJDPYZBP-UHFFFAOYSA-N
XLogP3.67
TPSA129.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]pyridine-4-carboxamide (CID 11846630) is N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]pyridine-4-carboxamide is Nc1nc(N)c(-c2ccc(NC(=O)c3ccncc3)cc2)c(COCc2ccccc2)n1.
What is the InChIKey of N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is VARCCLXJDPYZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c25-22-21(20(29-24(26)30-22)15-32-14-16-4-2-1-3-5-16)17-6-8-19(9-7-17)28-23(31)18-10-12-27-13-11-18/h1-13H,14-15H2,(H,28,31)(H4,25,26,29,30).
What are the key properties of N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]pyridine-4-carboxamide?
N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 3.67, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 11846630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).