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

C13H16ClN5 — CID 80972233

IUPAC6-chloro-2-cyclopropyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NCc1cnn(C)c1
InChIInChI=1S/C13H16ClN5/c1-8-11(14)17-13(10-3-4-10)18-12(8)15-5-9-6-16-19(2)7-9/h6-7,10H,3-5H2,1-2H3,(H,15,17,18)
InChIKeyIEEHRLCNQKDBRL-UHFFFAOYSA-N
MW277.76 g/mol
LogP2.66
Rot. Bonds4

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

6-chloro-2-cyclopropyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 80972233) has the molecular formula C13H16ClN5 and a molecular weight of 277.76 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID80972233
Molecular FormulaC13H16ClN5
Molecular Weight277.76 g/mol
Exact Mass277.11
IUPAC Name6-chloro-2-cyclopropyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NCc1cnn(C)c1
InChIInChI=1S/C13H16ClN5/c1-8-11(14)17-13(10-3-4-10)18-12(8)15-5-9-6-16-19(2)7-9/h6-7,10H,3-5H2,1-2H3,(H,15,17,18)
InChIKeyIEEHRLCNQKDBRL-UHFFFAOYSA-N
XLogP2.66
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 52.66
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-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine (CID 80972233) is 6-chloro-2-cyclopropyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine is Cc1c(Cl)nc(C2CC2)nc1NCc1cnn(C)c1.
What is the InChIKey of 6-chloro-2-cyclopropyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is IEEHRLCNQKDBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5/c1-8-11(14)17-13(10-3-4-10)18-12(8)15-5-9-6-16-19(2)7-9/h6-7,10H,3-5H2,1-2H3,(H,15,17,18).
What are the key properties of 6-chloro-2-cyclopropyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
6-chloro-2-cyclopropyl-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 277.76 g/mol, XLogP of 2.66, 4 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-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80972233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).