N,N-dimethyl-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine

C19H28N8 — CID 166601217

IUPACN,N-dimethyl-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
SMILESCN(C)c1ccnc(N2CCN(c3cc(N4CCCCC4)ncn3)CC2)n1
InChIInChI=1S/C19H28N8/c1-24(2)16-6-7-20-19(23-16)27-12-10-26(11-13-27)18-14-17(21-15-22-18)25-8-4-3-5-9-25/h6-7,14-15H,3-5,8-13H2,1-2H3
InChIKeyABTUAUWFMCDQQJ-UHFFFAOYSA-N
MW368.49 g/mol
LogP1.65
Rot. Bonds4

About N,N-dimethyl-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine

N,N-dimethyl-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 166601217) has the molecular formula C19H28N8 and a molecular weight of 368.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID166601217
Molecular FormulaC19H28N8
Molecular Weight368.49 g/mol
Exact Mass368.24
IUPAC NameN,N-dimethyl-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
SMILESCN(C)c1ccnc(N2CCN(c3cc(N4CCCCC4)ncn3)CC2)n1
InChIInChI=1S/C19H28N8/c1-24(2)16-6-7-20-19(23-16)27-12-10-26(11-13-27)18-14-17(21-15-22-18)25-8-4-3-5-9-25/h6-7,14-15H,3-5,8-13H2,1-2H3
InChIKeyABTUAUWFMCDQQJ-UHFFFAOYSA-N
XLogP1.65
TPSA64.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine (CID 166601217) is N,N-dimethyl-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine is CN(C)c1ccnc(N2CCN(c3cc(N4CCCCC4)ncn3)CC2)n1.
What is the InChIKey of N,N-dimethyl-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is ABTUAUWFMCDQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N8/c1-24(2)16-6-7-20-19(23-16)27-12-10-26(11-13-27)18-14-17(21-15-22-18)25-8-4-3-5-9-25/h6-7,14-15H,3-5,8-13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
N,N-dimethyl-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 368.49 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 166601217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).