N-(2,4-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine

C18H24N4O2 — CID 112856463

IUPACN-(2,4-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(N3CCC(C)CC3)ncn2)c(OC)c1
InChIInChI=1S/C18H24N4O2/c1-13-6-8-22(9-7-13)18-11-17(19-12-20-18)21-15-5-4-14(23-2)10-16(15)24-3/h4-5,10-13H,6-9H2,1-3H3,(H,19,20,21)
InChIKeyIPSRFYMWZIOCND-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.47
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine

N-(2,4-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine (PubChem CID 112856463) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
PubChem CID112856463
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(2,4-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
SMILESCOc1ccc(Nc2cc(N3CCC(C)CC3)ncn2)c(OC)c1
InChIInChI=1S/C18H24N4O2/c1-13-6-8-22(9-7-13)18-11-17(19-12-20-18)21-15-5-4-14(23-2)10-16(15)24-3/h4-5,10-13H,6-9H2,1-3H3,(H,19,20,21)
InChIKeyIPSRFYMWZIOCND-UHFFFAOYSA-N
XLogP3.47
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-(2,4-dimethoxyanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858317
6-[(3aR,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-yl]-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine
CID 167955516
N-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968422
N-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857127
N-(4-chloro-2-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856447
N-(2-bromo-4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856489
N-(2,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856426
methyl 2-[[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoate
CID 112856472
N-(2,4-dimethoxyphenyl)-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-4-amine
CID 133450786
3-(2,5-dimethoxyphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-pyrazole-5-carboxamide
CID 90546079
6-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112856437
4-N,4-N-diethyl-2-methyl-1-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzene-1,4-diamine
CID 112856510

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine (CID 112856463) is N-(2,4-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine is COc1ccc(Nc2cc(N3CCC(C)CC3)ncn2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is IPSRFYMWZIOCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-6-8-22(9-7-13)18-11-17(19-12-20-18)21-15-5-4-14(23-2)10-16(15)24-3/h4-5,10-13H,6-9H2,1-3H3,(H,19,20,21).
What are the key properties of N-(2,4-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine?
N-(2,4-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 328.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112856463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).