6-chloro-2-cyclopropyl-5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine

C14H18ClN5 — CID 80978577

IUPAC6-chloro-2-cyclopropyl-5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NCCc1cnn(C)c1
InChIInChI=1S/C14H18ClN5/c1-9-12(15)18-14(11-3-4-11)19-13(9)16-6-5-10-7-17-20(2)8-10/h7-8,11H,3-6H2,1-2H3,(H,16,18,19)
InChIKeyRWFDVGSWRHABNR-UHFFFAOYSA-N
MW291.79 g/mol
LogP2.70
Rot. Bonds5

About 6-chloro-2-cyclopropyl-5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine

6-chloro-2-cyclopropyl-5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 80978577) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
PubChem CID80978577
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name6-chloro-2-cyclopropyl-5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NCCc1cnn(C)c1
InChIInChI=1S/C14H18ClN5/c1-9-12(15)18-14(11-3-4-11)19-13(9)16-6-5-10-7-17-20(2)8-10/h7-8,11H,3-6H2,1-2H3,(H,16,18,19)
InChIKeyRWFDVGSWRHABNR-UHFFFAOYSA-N
XLogP2.70
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine (CID 80978577) is 6-chloro-2-cyclopropyl-5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine is Cc1c(Cl)nc(C2CC2)nc1NCCc1cnn(C)c1.
What is the InChIKey of 6-chloro-2-cyclopropyl-5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is RWFDVGSWRHABNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c1-9-12(15)18-14(11-3-4-11)19-13(9)16-6-5-10-7-17-20(2)8-10/h7-8,11H,3-6H2,1-2H3,(H,16,18,19).
What are the key properties of 6-chloro-2-cyclopropyl-5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine?
6-chloro-2-cyclopropyl-5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 291.79 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-5-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 80978577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).