N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-4-amine

C15H25N5 — CID 57208606

IUPACN-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-4-amine
SMILESCN1CCN(C2CCC(Nc3ccncn3)CC2)CC1
InChIInChI=1S/C15H25N5/c1-19-8-10-20(11-9-19)14-4-2-13(3-5-14)18-15-6-7-16-12-17-15/h6-7,12-14H,2-5,8-11H2,1H3,(H,16,17,18)
InChIKeyHDNBVQDGHMHNGX-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.45
Rot. Bonds3

About N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-4-amine

N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-4-amine (PubChem CID 57208606) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-4-amine
PubChem CID57208606
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC NameN-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-4-amine
SMILESCN1CCN(C2CCC(Nc3ccncn3)CC2)CC1
InChIInChI=1S/C15H25N5/c1-19-8-10-20(11-9-19)14-4-2-13(3-5-14)18-15-6-7-16-12-17-15/h6-7,12-14H,2-5,8-11H2,1H3,(H,16,17,18)
InChIKeyHDNBVQDGHMHNGX-UHFFFAOYSA-N
XLogP1.45
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-4-amine?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-4-amine (CID 57208606) is N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-4-amine.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-4-amine?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-4-amine is CN1CCN(C2CCC(Nc3ccncn3)CC2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-4-amine?
The InChIKey is HDNBVQDGHMHNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-19-8-10-20(11-9-19)14-4-2-13(3-5-14)18-15-6-7-16-12-17-15/h6-7,12-14H,2-5,8-11H2,1H3,(H,16,17,18).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-4-amine?
N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-4-amine has a molecular weight of 275.40 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-4-amine is sourced from PubChem (CID 57208606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).