N-[4-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine

C19H28N6S — CID 10643047

IUPACN-[4-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine
SMILESc1cnc(NC2CCC(CCN3CCN(c4nccs4)CC3)CC2)nc1
InChIInChI=1S/C19H28N6S/c1-7-20-18(21-8-1)23-17-4-2-16(3-5-17)6-10-24-11-13-25(14-12-24)19-22-9-15-26-19/h1,7-9,15-17H,2-6,10-14H2,(H,20,21,23)
InChIKeyMTQWOJOFKUQLJW-UHFFFAOYSA-N
MW372.54 g/mol
LogP3.12
Rot. Bonds6

About N-[4-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine

N-[4-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine (PubChem CID 10643047) has the molecular formula C19H28N6S and a molecular weight of 372.54 g/mol. Its IUPAC name is N-[4-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine
PubChem CID10643047
Molecular FormulaC19H28N6S
Molecular Weight372.54 g/mol
Exact Mass372.21
IUPAC NameN-[4-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine
SMILESc1cnc(NC2CCC(CCN3CCN(c4nccs4)CC3)CC2)nc1
InChIInChI=1S/C19H28N6S/c1-7-20-18(21-8-1)23-17-4-2-16(3-5-17)6-10-24-11-13-25(14-12-24)19-22-9-15-26-19/h1,7-9,15-17H,2-6,10-14H2,(H,20,21,23)
InChIKeyMTQWOJOFKUQLJW-UHFFFAOYSA-N
XLogP3.12
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 53.12
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-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine?
The IUPAC name of N-[4-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine (CID 10643047) is N-[4-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine.
What is the SMILES notation for N-[4-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine?
The canonical SMILES for N-[4-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine is c1cnc(NC2CCC(CCN3CCN(c4nccs4)CC3)CC2)nc1.
What is the InChIKey of N-[4-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine?
The InChIKey is MTQWOJOFKUQLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6S/c1-7-20-18(21-8-1)23-17-4-2-16(3-5-17)6-10-24-11-13-25(14-12-24)19-22-9-15-26-19/h1,7-9,15-17H,2-6,10-14H2,(H,20,21,23).
What are the key properties of N-[4-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine?
N-[4-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine has a molecular weight of 372.54 g/mol, XLogP of 3.12, 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-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine is sourced from PubChem (CID 10643047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).