N-[4-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine

C21H30N6 — CID 10713960

IUPACN-[4-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine
SMILESc1cnc(NC2CCC(CCN3CCN(c4cccnc4)CC3)CC2)nc1
InChIInChI=1S/C21H30N6/c1-3-20(17-22-9-1)27-15-13-26(14-16-27)12-8-18-4-6-19(7-5-18)25-21-23-10-2-11-24-21/h1-3,9-11,17-19H,4-8,12-16H2,(H,23,24,25)
InChIKeySIDPGTZGVQNXLM-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.05
Rot. Bonds6

About N-[4-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine

N-[4-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine (PubChem CID 10713960) has the molecular formula C21H30N6 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[4-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine
PubChem CID10713960
Molecular FormulaC21H30N6
Molecular Weight366.51 g/mol
Exact Mass366.25
IUPAC NameN-[4-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine
SMILESc1cnc(NC2CCC(CCN3CCN(c4cccnc4)CC3)CC2)nc1
InChIInChI=1S/C21H30N6/c1-3-20(17-22-9-1)27-15-13-26(14-16-27)12-8-18-4-6-19(7-5-18)25-21-23-10-2-11-24-21/h1-3,9-11,17-19H,4-8,12-16H2,(H,23,24,25)
InChIKeySIDPGTZGVQNXLM-UHFFFAOYSA-N
XLogP3.05
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 5164
CID 5164
CID 134812633
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CID 9797240
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CID 16742146
CID 16742146
CID 156768862
CID 156768862
CID 67983123
CID 67983123
CID 71720883
CID 71720883
CID 163890
CID 163890
CID 819920
CID 819920
CID 3296768
CID 3296768
CID 5329416
CID 5329416
CID 5329431
CID 5329431

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine?
The IUPAC name of N-[4-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine (CID 10713960) is N-[4-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine.
What is the SMILES notation for N-[4-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine?
The canonical SMILES for N-[4-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine is c1cnc(NC2CCC(CCN3CCN(c4cccnc4)CC3)CC2)nc1.
What is the InChIKey of N-[4-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine?
The InChIKey is SIDPGTZGVQNXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6/c1-3-20(17-22-9-1)27-15-13-26(14-16-27)12-8-18-4-6-19(7-5-18)25-21-23-10-2-11-24-21/h1-3,9-11,17-19H,4-8,12-16H2,(H,23,24,25).
What are the key properties of N-[4-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine?
N-[4-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine has a molecular weight of 366.51 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-pyridin-3-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine is sourced from PubChem (CID 10713960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).