2-(4-cyclohexylpiperazin-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

C19H32N6 — CID 46050226

IUPAC2-(4-cyclohexylpiperazin-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCN(C)c1nc(N2CCN(C3CCCCC3)CC2)nc2c1CNCC2
InChIInChI=1S/C19H32N6/c1-23(2)18-16-14-20-9-8-17(16)21-19(22-18)25-12-10-24(11-13-25)15-6-4-3-5-7-15/h15,20H,3-14H2,1-2H3
InChIKeyMNPGKJJMMBHWPZ-UHFFFAOYSA-N
MW344.51 g/mol
LogP1.64
Rot. Bonds3

About 2-(4-cyclohexylpiperazin-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine

2-(4-cyclohexylpiperazin-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 46050226) has the molecular formula C19H32N6 and a molecular weight of 344.51 g/mol. Its IUPAC name is 2-(4-cyclohexylpiperazin-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-cyclohexylpiperazin-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
PubChem CID46050226
Molecular FormulaC19H32N6
Molecular Weight344.51 g/mol
Exact Mass344.27
IUPAC Name2-(4-cyclohexylpiperazin-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
SMILESCN(C)c1nc(N2CCN(C3CCCCC3)CC2)nc2c1CNCC2
InChIInChI=1S/C19H32N6/c1-23(2)18-16-14-20-9-8-17(16)21-19(22-18)25-12-10-24(11-13-25)15-6-4-3-5-7-15/h15,20H,3-14H2,1-2H3
InChIKeyMNPGKJJMMBHWPZ-UHFFFAOYSA-N
XLogP1.64
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-cyclohexylpiperazin-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine (CID 46050226) is 2-(4-cyclohexylpiperazin-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-cyclohexylpiperazin-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-cyclohexylpiperazin-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is CN(C)c1nc(N2CCN(C3CCCCC3)CC2)nc2c1CNCC2.
What is the InChIKey of 2-(4-cyclohexylpiperazin-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is MNPGKJJMMBHWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6/c1-23(2)18-16-14-20-9-8-17(16)21-19(22-18)25-12-10-24(11-13-25)15-6-4-3-5-7-15/h15,20H,3-14H2,1-2H3.
What are the key properties of 2-(4-cyclohexylpiperazin-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine?
2-(4-cyclohexylpiperazin-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 344.51 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylpiperazin-1-yl)-N,N-dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 46050226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).