4-N-(2,4-dimethoxyphenyl)-6-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-4,6-diamine

C19H27N5O2 — CID 133454545

IUPAC4-N-(2,4-dimethoxyphenyl)-6-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(NCC3CCCN(C)C3)ncn2)c(OC)c1
InChIInChI=1S/C19H27N5O2/c1-24-8-4-5-14(12-24)11-20-18-10-19(22-13-21-18)23-16-7-6-15(25-2)9-17(16)26-3/h6-7,9-10,13-14H,4-5,8,11-12H2,1-3H3,(H2,20,21,22,23)
InChIKeyFPQQLPQCMLBYTN-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.99
Rot. Bonds7

About 4-N-(2,4-dimethoxyphenyl)-6-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-4,6-diamine

4-N-(2,4-dimethoxyphenyl)-6-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 133454545) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-N-(2,4-dimethoxyphenyl)-6-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethoxyphenyl)-6-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-4,6-diamine
PubChem CID133454545
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name4-N-(2,4-dimethoxyphenyl)-6-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2cc(NCC3CCCN(C)C3)ncn2)c(OC)c1
InChIInChI=1S/C19H27N5O2/c1-24-8-4-5-14(12-24)11-20-18-10-19(22-13-21-18)23-16-7-6-15(25-2)9-17(16)26-3/h6-7,9-10,13-14H,4-5,8,11-12H2,1-3H3,(H2,20,21,22,23)
InChIKeyFPQQLPQCMLBYTN-UHFFFAOYSA-N
XLogP2.99
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(2,4-dimethoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864033
4-N-(2,4-dimethoxyphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864137
4-N-(2,4-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860142
N-(2,4-dimethoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856463
4-[6-(2,4-dimethoxyanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858317
N-(2,5-dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 99968422
N-(2,4-dimethoxyphenyl)-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-4-amine
CID 133450786
N-(2,4-dimethoxyphenyl)-3-[(3R)-1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 95103040
6-N-(furan-2-ylmethyl)-4-N-[2-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-4,6-diamine
CID 142748428
4-methoxy-3-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62659783
(2R)-2-[[6-(2,4-dimethoxyanilino)pyrimidin-4-yl]amino]-2-(1-methylpyrazol-4-yl)ethanol
CID 164629409
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

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-dimethoxyphenyl)-6-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,4-dimethoxyphenyl)-6-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-4,6-diamine (CID 133454545) is 4-N-(2,4-dimethoxyphenyl)-6-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,4-dimethoxyphenyl)-6-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,4-dimethoxyphenyl)-6-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-4,6-diamine is COc1ccc(Nc2cc(NCC3CCCN(C)C3)ncn2)c(OC)c1.
What is the InChIKey of 4-N-(2,4-dimethoxyphenyl)-6-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is FPQQLPQCMLBYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-24-8-4-5-14(12-24)11-20-18-10-19(22-13-21-18)23-16-7-6-15(25-2)9-17(16)26-3/h6-7,9-10,13-14H,4-5,8,11-12H2,1-3H3,(H2,20,21,22,23).
What are the key properties of 4-N-(2,4-dimethoxyphenyl)-6-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-4,6-diamine?
4-N-(2,4-dimethoxyphenyl)-6-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 357.46 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethoxyphenyl)-6-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 133454545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).