N-(oxolan-2-ylmethyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide

C22H23N5O2 — CID 112853570

IUPACN-(oxolan-2-ylmethyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(NCc2cccnc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H23N5O2/c28-22(25-15-18-9-5-11-29-18)19-12-20(24-14-16-6-4-10-23-13-16)27-21(26-19)17-7-2-1-3-8-17/h1-4,6-8,10,12-13,18H,5,9,11,14-15H2,(H,25,28)(H,24,26,27)
InChIKeyKSTOZPYDXPJGPH-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.06
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide

N-(oxolan-2-ylmethyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 112853570) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID112853570
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-(oxolan-2-ylmethyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(NCc2cccnc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H23N5O2/c28-22(25-15-18-9-5-11-29-18)19-12-20(24-14-16-6-4-10-23-13-16)27-21(26-19)17-7-2-1-3-8-17/h1-4,6-8,10,12-13,18H,5,9,11,14-15H2,(H,25,28)(H,24,26,27)
InChIKeyKSTOZPYDXPJGPH-UHFFFAOYSA-N
XLogP3.06
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(cycloheptylamino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853574
N-(oxolan-2-ylmethyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109206754
N-pentyl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112854090
6-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853587
N-[[(2S)-oxolan-2-yl]methyl]-4-pyridin-3-yl-1,6-naphthyridine-2-carboxamide
CID 92570801
N-butan-2-yl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112852584
N-(4-fluorophenyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112854101
N-(4-methylphenyl)-6-(oxolan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853553
6-(3-methoxypropylamino)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 112853302
6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881219
6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide
CID 112852853
6-[(4-methoxyphenyl)methylamino]-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365850

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide (CID 112853570) is N-(oxolan-2-ylmethyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide is O=C(NCC1CCCO1)c1cc(NCc2cccnc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is KSTOZPYDXPJGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-22(25-15-18-9-5-11-29-18)19-12-20(24-14-16-6-4-10-23-13-16)27-21(26-19)17-7-2-1-3-8-17/h1-4,6-8,10,12-13,18H,5,9,11,14-15H2,(H,25,28)(H,24,26,27).
What are the key properties of N-(oxolan-2-ylmethyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
N-(oxolan-2-ylmethyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112853570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).