N-[3-(1-amino-3-phenylpropan-2-yl)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide

C25H24N6O — CID 66550830

IUPACN-[3-(1-amino-3-phenylpropan-2-yl)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide
SMILESNCC(Cc1ccccc1)c1cccc(NC(=O)c2ccnc(Nc3ccncc3)n2)c1
InChIInChI=1S/C25H24N6O/c26-17-20(15-18-5-2-1-3-6-18)19-7-4-8-22(16-19)29-24(32)23-11-14-28-25(31-23)30-21-9-12-27-13-10-21/h1-14,16,20H,15,17,26H2,(H,29,32)(H,27,28,30,31)
InChIKeyIHDKOOLWHJJCPA-UHFFFAOYSA-N
MW424.51 g/mol
LogP4.15
Rot. Bonds8

About N-[3-(1-amino-3-phenylpropan-2-yl)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide

N-[3-(1-amino-3-phenylpropan-2-yl)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide (PubChem CID 66550830) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is N-[3-(1-amino-3-phenylpropan-2-yl)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1-amino-3-phenylpropan-2-yl)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide
PubChem CID66550830
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC NameN-[3-(1-amino-3-phenylpropan-2-yl)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide
SMILESNCC(Cc1ccccc1)c1cccc(NC(=O)c2ccnc(Nc3ccncc3)n2)c1
InChIInChI=1S/C25H24N6O/c26-17-20(15-18-5-2-1-3-6-18)19-7-4-8-22(16-19)29-24(32)23-11-14-28-25(31-23)30-21-9-12-27-13-10-21/h1-14,16,20H,15,17,26H2,(H,29,32)(H,27,28,30,31)
InChIKeyIHDKOOLWHJJCPA-UHFFFAOYSA-N
XLogP4.15
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-anilino-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313397
N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide
CID 109313448
N-[3-[(4-chlorophenyl)methoxy]phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide
CID 66549600
N-[3-(cyclopropanecarbonylamino)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide
CID 66550429
2-anilino-N-benzylpyrimidine-4-carboxamide
CID 109303802
2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556
2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109313398
2-anilino-N-[2-(3-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109313129
2-(benzylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303645
2-anilino-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109313447
2-(3-acetylanilino)-N-(3-acetylphenyl)pyrimidine-4-carboxamide
CID 109318161
2-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313540

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-amino-3-phenylpropan-2-yl)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[3-(1-amino-3-phenylpropan-2-yl)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide (CID 66550830) is N-[3-(1-amino-3-phenylpropan-2-yl)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-(1-amino-3-phenylpropan-2-yl)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[3-(1-amino-3-phenylpropan-2-yl)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide is NCC(Cc1ccccc1)c1cccc(NC(=O)c2ccnc(Nc3ccncc3)n2)c1.
What is the InChIKey of N-[3-(1-amino-3-phenylpropan-2-yl)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide?
The InChIKey is IHDKOOLWHJJCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c26-17-20(15-18-5-2-1-3-6-18)19-7-4-8-22(16-19)29-24(32)23-11-14-28-25(31-23)30-21-9-12-27-13-10-21/h1-14,16,20H,15,17,26H2,(H,29,32)(H,27,28,30,31).
What are the key properties of N-[3-(1-amino-3-phenylpropan-2-yl)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide?
N-[3-(1-amino-3-phenylpropan-2-yl)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 4.15, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-amino-3-phenylpropan-2-yl)phenyl]-2-(pyridin-4-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 66550830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).