N-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine

C20H29N7 — CID 10570997

IUPACN-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine
SMILESc1cnc(NC2CCC(CCN3CCN(c4ncccn4)CC3)CC2)nc1
InChIInChI=1S/C20H29N7/c1-8-21-19(22-9-1)25-18-5-3-17(4-6-18)7-12-26-13-15-27(16-14-26)20-23-10-2-11-24-20/h1-2,8-11,17-18H,3-7,12-16H2,(H,21,22,25)
InChIKeyVFYMYMGVYBHBAW-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.45
Rot. Bonds6

About N-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine

N-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine (PubChem CID 10570997) has the molecular formula C20H29N7 and a molecular weight of 367.50 g/mol. Its IUPAC name is N-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine
PubChem CID10570997
Molecular FormulaC20H29N7
Molecular Weight367.50 g/mol
Exact Mass367.25
IUPAC NameN-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine
SMILESc1cnc(NC2CCC(CCN3CCN(c4ncccn4)CC3)CC2)nc1
InChIInChI=1S/C20H29N7/c1-8-21-19(22-9-1)25-18-5-3-17(4-6-18)7-12-26-13-15-27(16-14-26)20-23-10-2-11-24-20/h1-2,8-11,17-18H,3-7,12-16H2,(H,21,22,25)
InChIKeyVFYMYMGVYBHBAW-UHFFFAOYSA-N
XLogP2.45
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine?
The IUPAC name of N-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine (CID 10570997) is N-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine.
What is the SMILES notation for N-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine?
The canonical SMILES for N-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine is c1cnc(NC2CCC(CCN3CCN(c4ncccn4)CC3)CC2)nc1.
What is the InChIKey of N-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine?
The InChIKey is VFYMYMGVYBHBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7/c1-8-21-19(22-9-1)25-18-5-3-17(4-6-18)7-12-26-13-15-27(16-14-26)20-23-10-2-11-24-20/h1-2,8-11,17-18H,3-7,12-16H2,(H,21,22,25).
What are the key properties of N-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine?
N-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine has a molecular weight of 367.50 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine is sourced from PubChem (CID 10570997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).