N-cyclohexyl-N,4-dimethyl-5-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]pyrimidin-2-amine

C19H30N6 — CID 45190775

IUPACN-cyclohexyl-N,4-dimethyl-5-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]pyrimidin-2-amine
SMILESCc1nc(N(C)C2CCCCC2)ncc1C(C)NCc1cnn(C)c1
InChIInChI=1S/C19H30N6/c1-14(20-10-16-11-22-24(3)13-16)18-12-21-19(23-15(18)2)25(4)17-8-6-5-7-9-17/h11-14,17,20H,5-10H2,1-4H3
InChIKeyAQSCGCZFJDMJPO-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.14
Rot. Bonds6

About N-cyclohexyl-N,4-dimethyl-5-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]pyrimidin-2-amine

N-cyclohexyl-N,4-dimethyl-5-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]pyrimidin-2-amine (PubChem CID 45190775) has the molecular formula C19H30N6 and a molecular weight of 342.49 g/mol. Its IUPAC name is N-cyclohexyl-N,4-dimethyl-5-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-N,4-dimethyl-5-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]pyrimidin-2-amine
PubChem CID45190775
Molecular FormulaC19H30N6
Molecular Weight342.49 g/mol
Exact Mass342.25
IUPAC NameN-cyclohexyl-N,4-dimethyl-5-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]pyrimidin-2-amine
SMILESCc1nc(N(C)C2CCCCC2)ncc1C(C)NCc1cnn(C)c1
InChIInChI=1S/C19H30N6/c1-14(20-10-16-11-22-24(3)13-16)18-12-21-19(23-15(18)2)25(4)17-8-6-5-7-9-17/h11-14,17,20H,5-10H2,1-4H3
InChIKeyAQSCGCZFJDMJPO-UHFFFAOYSA-N
XLogP3.14
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N,4-dimethyl-5-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]pyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-N,4-dimethyl-5-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]pyrimidin-2-amine (CID 45190775) is N-cyclohexyl-N,4-dimethyl-5-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-N,4-dimethyl-5-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]pyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-N,4-dimethyl-5-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]pyrimidin-2-amine is Cc1nc(N(C)C2CCCCC2)ncc1C(C)NCc1cnn(C)c1.
What is the InChIKey of N-cyclohexyl-N,4-dimethyl-5-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]pyrimidin-2-amine?
The InChIKey is AQSCGCZFJDMJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6/c1-14(20-10-16-11-22-24(3)13-16)18-12-21-19(23-15(18)2)25(4)17-8-6-5-7-9-17/h11-14,17,20H,5-10H2,1-4H3.
What are the key properties of N-cyclohexyl-N,4-dimethyl-5-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]pyrimidin-2-amine?
N-cyclohexyl-N,4-dimethyl-5-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]pyrimidin-2-amine has a molecular weight of 342.49 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N,4-dimethyl-5-[1-[(1-methylpyrazol-4-yl)methylamino]ethyl]pyrimidin-2-amine is sourced from PubChem (CID 45190775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).