N-benzyl-6-(oxolan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide

C23H24N4O2 — CID 109343842

IUPACN-benzyl-6-(oxolan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
SMILESO=C(c1cc(NCC2CCCO2)ncn1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N4O2/c28-23(21-14-22(26-17-25-21)24-15-20-12-7-13-29-20)27(19-10-5-2-6-11-19)16-18-8-3-1-4-9-18/h1-6,8-11,14,17,20H,7,12-13,15-16H2,(H,24,25,26)
InChIKeyBSAORFLWQAFYRZ-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.91
Rot. Bonds7

About N-benzyl-6-(oxolan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide

N-benzyl-6-(oxolan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide (PubChem CID 109343842) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-benzyl-6-(oxolan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(oxolan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
PubChem CID109343842
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-benzyl-6-(oxolan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
SMILESO=C(c1cc(NCC2CCCO2)ncn1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N4O2/c28-23(21-14-22(26-17-25-21)24-15-20-12-7-13-29-20)27(19-10-5-2-6-11-19)16-18-8-3-1-4-9-18/h1-6,8-11,14,17,20H,7,12-13,15-16H2,(H,24,25,26)
InChIKeyBSAORFLWQAFYRZ-UHFFFAOYSA-N
XLogP3.91
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109343757
N-(oxolan-2-ylmethyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109343930
N-[(2-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343712
4-N-(oxolan-2-ylmethyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112857213
1-N-benzyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133594
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188
4-N-(oxolan-2-ylmethyl)-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112857246
N-(furan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343710
6-(oxolan-2-ylmethylamino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339622
4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112857277
N-[[(2R)-oxolan-2-yl]methyl]-6-phenylpyrimidin-4-amine
CID 1408931
[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341627

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(oxolan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-(oxolan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide (CID 109343842) is N-benzyl-6-(oxolan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-(oxolan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-(oxolan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide is O=C(c1cc(NCC2CCCO2)ncn1)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-6-(oxolan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is BSAORFLWQAFYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-23(21-14-22(26-17-25-21)24-15-20-12-7-13-29-20)27(19-10-5-2-6-11-19)16-18-8-3-1-4-9-18/h1-6,8-11,14,17,20H,7,12-13,15-16H2,(H,24,25,26).
What are the key properties of N-benzyl-6-(oxolan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide?
N-benzyl-6-(oxolan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(oxolan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109343842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).