4-methyl-6-[4-[(3-piperidin-1-ylphenyl)methylamino]piperidin-1-yl]pyrimidin-2-amine

C22H32N6 — CID 169075715

IUPAC4-methyl-6-[4-[(3-piperidin-1-ylphenyl)methylamino]piperidin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCC(NCc3cccc(N4CCCCC4)c3)CC2)nc(N)n1
InChIInChI=1S/C22H32N6/c1-17-14-21(26-22(23)25-17)28-12-8-19(9-13-28)24-16-18-6-5-7-20(15-18)27-10-3-2-4-11-27/h5-7,14-15,19,24H,2-4,8-13,16H2,1H3,(H2,23,25,26)
InChIKeyOPIJHHQNHKBZHP-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.12
Rot. Bonds5

About 4-methyl-6-[4-[(3-piperidin-1-ylphenyl)methylamino]piperidin-1-yl]pyrimidin-2-amine

4-methyl-6-[4-[(3-piperidin-1-ylphenyl)methylamino]piperidin-1-yl]pyrimidin-2-amine (PubChem CID 169075715) has the molecular formula C22H32N6 and a molecular weight of 380.54 g/mol. Its IUPAC name is 4-methyl-6-[4-[(3-piperidin-1-ylphenyl)methylamino]piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[4-[(3-piperidin-1-ylphenyl)methylamino]piperidin-1-yl]pyrimidin-2-amine
PubChem CID169075715
Molecular FormulaC22H32N6
Molecular Weight380.54 g/mol
Exact Mass380.27
IUPAC Name4-methyl-6-[4-[(3-piperidin-1-ylphenyl)methylamino]piperidin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCC(NCc3cccc(N4CCCCC4)c3)CC2)nc(N)n1
InChIInChI=1S/C22H32N6/c1-17-14-21(26-22(23)25-17)28-12-8-19(9-13-28)24-16-18-6-5-7-20(15-18)27-10-3-2-4-11-27/h5-7,14-15,19,24H,2-4,8-13,16H2,1H3,(H2,23,25,26)
InChIKeyOPIJHHQNHKBZHP-UHFFFAOYSA-N
XLogP3.12
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methyl-6-[4-[(3-piperidin-1-ylphenyl)methylamino]piperidin-1-yl]pyrimidin-2-amine with MolForge

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Related Compounds

4-[4-[(3-methoxyphenyl)methylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 169075730
N-[(3-piperidin-1-ylphenyl)methyl]cyclobutanamine
CID 173207768
4-(azocan-1-yl)-6-methylpyrimidin-2-amine
CID 11521403
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112724317
4-methyl-6-[4-[[1-(phenoxymethyl)cyclopropyl]methylamino]piperidin-1-yl]pyrimidin-2-amine
CID 72845869
4-methyl-6-[4-[4-[(2S)-oxolan-2-yl]butylamino]piperidin-1-yl]pyrimidin-2-amine
CID 97206452
4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 72916033
N-[2-(3-but-3-ynyldiaziridin-3-yl)ethyl]-6-methyl-2-[4-[(3-pyrrolidin-1-ylphenyl)methylamino]piperidin-1-yl]pyrimidin-4-amine
CID 170238163
1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-ol
CID 112724371
[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-dimethylazanium chloride
CID 139084866
4-[4-[[(1R,2R)-2-[(4-fluorophenyl)methyl]cyclopentyl]amino]piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 133115702
4-methyl-6-[4-[[(S)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine
CID 97187975

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[4-[(3-piperidin-1-ylphenyl)methylamino]piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[4-[(3-piperidin-1-ylphenyl)methylamino]piperidin-1-yl]pyrimidin-2-amine (CID 169075715) is 4-methyl-6-[4-[(3-piperidin-1-ylphenyl)methylamino]piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[4-[(3-piperidin-1-ylphenyl)methylamino]piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[4-[(3-piperidin-1-ylphenyl)methylamino]piperidin-1-yl]pyrimidin-2-amine is Cc1cc(N2CCC(NCc3cccc(N4CCCCC4)c3)CC2)nc(N)n1.
What is the InChIKey of 4-methyl-6-[4-[(3-piperidin-1-ylphenyl)methylamino]piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is OPIJHHQNHKBZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6/c1-17-14-21(26-22(23)25-17)28-12-8-19(9-13-28)24-16-18-6-5-7-20(15-18)27-10-3-2-4-11-27/h5-7,14-15,19,24H,2-4,8-13,16H2,1H3,(H2,23,25,26).
What are the key properties of 4-methyl-6-[4-[(3-piperidin-1-ylphenyl)methylamino]piperidin-1-yl]pyrimidin-2-amine?
4-methyl-6-[4-[(3-piperidin-1-ylphenyl)methylamino]piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 380.54 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[4-[(3-piperidin-1-ylphenyl)methylamino]piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 169075715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).