N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-pyridin-3-ylacetamide

C25H24N6O2 — CID 11846799

IUPACN-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-pyridin-3-ylacetamide
SMILESNc1nc(N)c(-c2ccc(NC(=O)Cc3cccnc3)cc2)c(COCc2ccccc2)n1
InChIInChI=1S/C25H24N6O2/c26-24-23(21(30-25(27)31-24)16-33-15-17-5-2-1-3-6-17)19-8-10-20(11-9-19)29-22(32)13-18-7-4-12-28-14-18/h1-12,14H,13,15-16H2,(H,29,32)(H4,26,27,30,31)
InChIKeyMFCPBMNBYFSYKR-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.60
Rot. Bonds8

About N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-pyridin-3-ylacetamide

N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-pyridin-3-ylacetamide (PubChem CID 11846799) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-pyridin-3-ylacetamide
PubChem CID11846799
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC NameN-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-pyridin-3-ylacetamide
SMILESNc1nc(N)c(-c2ccc(NC(=O)Cc3cccnc3)cc2)c(COCc2ccccc2)n1
InChIInChI=1S/C25H24N6O2/c26-24-23(21(30-25(27)31-24)16-33-15-17-5-2-1-3-6-17)19-8-10-20(11-9-19)29-22(32)13-18-7-4-12-28-14-18/h1-12,14H,13,15-16H2,(H,29,32)(H4,26,27,30,31)
InChIKeyMFCPBMNBYFSYKR-UHFFFAOYSA-N
XLogP3.60
TPSA129.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-phenylmethoxyacetamide
CID 11178863
4-chloro-N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]benzamide
CID 11155398
5-[4-(1H-imidazol-2-ylmethylamino)phenyl]-6-(phenylmethoxymethyl)pyrimidine-2,4-diamine
CID 11773987
N-[4-[2,4-bis[amino(carbamoyl)amino]-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]propanamide
CID 174593234
3-oxo-N-phenyl-4-pyridin-3-ylbutanamide
CID 131865555
N-[4-(2-aminopyrimidin-4-yl)phenyl]-2-phenylacetamide
CID 141138493
N-(4-phenylmethoxyphenyl)-N'-pyridin-3-ylpentanediamide
CID 51362775
2-(4-phenylphenyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 52655964
N-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]furan-2-carboxamide
CID 17297144
N-cyclopropyl-2-[4-[(2-pyridin-3-ylacetyl)amino]phenyl]acetamide
CID 131905029
2-[5-[(2-pyridin-3-ylacetyl)amino]-2-pyridinyl]acetic acid
CID 107339387
2-[(2-pyridin-3-ylacetyl)amino]oxyacetic acid
CID 63913163

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-pyridin-3-ylacetamide (CID 11846799) is N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-pyridin-3-ylacetamide is Nc1nc(N)c(-c2ccc(NC(=O)Cc3cccnc3)cc2)c(COCc2ccccc2)n1.
What is the InChIKey of N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-pyridin-3-ylacetamide?
The InChIKey is MFCPBMNBYFSYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c26-24-23(21(30-25(27)31-24)16-33-15-17-5-2-1-3-6-17)19-8-10-20(11-9-19)29-22(32)13-18-7-4-12-28-14-18/h1-12,14H,13,15-16H2,(H,29,32)(H4,26,27,30,31).
What are the key properties of N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-pyridin-3-ylacetamide?
N-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]-2-pyridin-3-ylacetamide has a molecular weight of 440.51 g/mol, XLogP of 3.60, 8 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]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 11846799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).