2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine

C22H31N5 — CID 112901130

IUPAC2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine
SMILESCC1CCN(c2ccc(Nc3ccnc(N4CCCC(C)C4)n3)cc2)CC1
InChIInChI=1S/C22H31N5/c1-17-10-14-26(15-11-17)20-7-5-19(6-8-20)24-21-9-12-23-22(25-21)27-13-3-4-18(2)16-27/h5-9,12,17-18H,3-4,10-11,13-16H2,1-2H3,(H,23,24,25)
InChIKeyRAHAZPVXVFZANH-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.69
Rot. Bonds4

About 2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine

2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine (PubChem CID 112901130) has the molecular formula C22H31N5 and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine
PubChem CID112901130
Molecular FormulaC22H31N5
Molecular Weight365.52 g/mol
Exact Mass365.26
IUPAC Name2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine
SMILESCC1CCN(c2ccc(Nc3ccnc(N4CCCC(C)C4)n3)cc2)CC1
InChIInChI=1S/C22H31N5/c1-17-10-14-26(15-11-17)20-7-5-19(6-8-20)24-21-9-12-23-22(25-21)27-13-3-4-18(2)16-27/h5-9,12,17-18H,3-4,10-11,13-16H2,1-2H3,(H,23,24,25)
InChIKeyRAHAZPVXVFZANH-UHFFFAOYSA-N
XLogP4.69
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylpiperidin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
CID 112885128
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884090
[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 134798553
2-(4-methylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112885330
2-N-(4-methoxyphenyl)-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112904779
2-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 112901131
N-butan-2-yl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112883550
4-methyl-2-(3-methylpiperidin-1-yl)pyrimidine
CID 89079553
N-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112901738
N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 66903521
2-N-(3-methylphenyl)-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112901921
[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 134799885

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine (CID 112901130) is 2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine is CC1CCN(c2ccc(Nc3ccnc(N4CCCC(C)C4)n3)cc2)CC1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine?
The InChIKey is RAHAZPVXVFZANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5/c1-17-10-14-26(15-11-17)20-7-5-19(6-8-20)24-21-9-12-23-22(25-21)27-13-3-4-18(2)16-27/h5-9,12,17-18H,3-4,10-11,13-16H2,1-2H3,(H,23,24,25).
What are the key properties of 2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine?
2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine has a molecular weight of 365.52 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 112901130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).