N-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine

C23H27N5O — CID 112936261

IUPACN-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
SMILESCOc1ccccc1CNc1nc(-c2ccccc2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C23H27N5O/c1-27-12-14-28(15-13-27)22-16-20(18-8-4-3-5-9-18)25-23(26-22)24-17-19-10-6-7-11-21(19)29-2/h3-11,16H,12-15,17H2,1-2H3,(H,24,25,26)
InChIKeyILFBQHMSUFINIS-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.52
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine

N-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine (PubChem CID 112936261) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
PubChem CID112936261
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
SMILESCOc1ccccc1CNc1nc(-c2ccccc2)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C23H27N5O/c1-27-12-14-28(15-13-27)22-16-20(18-8-4-3-5-9-18)25-23(26-22)24-17-19-10-6-7-11-21(19)29-2/h3-11,16H,12-15,17H2,1-2H3,(H,24,25,26)
InChIKeyILFBQHMSUFINIS-UHFFFAOYSA-N
XLogP3.52
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CP-31398
CID 9950868
6-Ethyl-5-{3-[2-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149549
4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 20855152
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
6-(4-Methoxyphenyl)pyrimidine-2,4-diamine
CID 2808121
6-[(Benzyloxy)methyl]-5-(4-{[(4-methoxyphenyl)methyl]amino}phenyl)pyrimidine-2,4-diamine
CID 11453509
5-[[1-(Piperidin-4-ylmethyl)piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 50997768
6-Ethyl-5-[3-(4-Methoxybiphenyl-3-Yl)prop-1-Yn-1-Yl]pyrimidine-2,4-Diamine
CID 52949513
N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine
CID 154815704
N-(2-methoxybenzyl)-1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-amine
CID 662454
4-[4-(2-Methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
CID 2989573

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine (CID 112936261) is N-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine is COc1ccccc1CNc1nc(-c2ccccc2)cc(N2CCN(C)CC2)n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine?
The InChIKey is ILFBQHMSUFINIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-27-12-14-28(15-13-27)22-16-20(18-8-4-3-5-9-18)25-23(26-22)24-17-19-10-6-7-11-21(19)29-2/h3-11,16H,12-15,17H2,1-2H3,(H,24,25,26).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine?
N-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine has a molecular weight of 389.50 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 112936261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).