6-chloro-N-cyclopropyl-5-methyl-2-[(1S,2R)-2-methylcyclopropyl]pyrimidin-4-amine

C12H16ClN3 — CID 10214558

IUPAC6-chloro-N-cyclopropyl-5-methyl-2-[(1S,2R)-2-methylcyclopropyl]pyrimidin-4-amine
SMILESCc1c(Cl)nc([C@H]2C[C@H]2C)nc1NC1CC1
InChIInChI=1S/C12H16ClN3/c1-6-5-9(6)12-15-10(13)7(2)11(16-12)14-8-3-4-8/h6,8-9H,3-5H2,1-2H3,(H,14,15,16)/t6-,9+/m1/s1
InChIKeyCCAGEMGIUGNMNU-MUWHJKNJSA-N
MW237.73 g/mol
LogP3.14
Rot. Bonds3

About 6-chloro-N-cyclopropyl-5-methyl-2-[(1S,2R)-2-methylcyclopropyl]pyrimidin-4-amine

6-chloro-N-cyclopropyl-5-methyl-2-[(1S,2R)-2-methylcyclopropyl]pyrimidin-4-amine (PubChem CID 10214558) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 6-chloro-N-cyclopropyl-5-methyl-2-[(1S,2R)-2-methylcyclopropyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopropyl-5-methyl-2-[(1S,2R)-2-methylcyclopropyl]pyrimidin-4-amine
PubChem CID10214558
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name6-chloro-N-cyclopropyl-5-methyl-2-[(1S,2R)-2-methylcyclopropyl]pyrimidin-4-amine
SMILESCc1c(Cl)nc([C@H]2C[C@H]2C)nc1NC1CC1
InChIInChI=1S/C12H16ClN3/c1-6-5-9(6)12-15-10(13)7(2)11(16-12)14-8-3-4-8/h6,8-9H,3-5H2,1-2H3,(H,14,15,16)/t6-,9+/m1/s1
InChIKeyCCAGEMGIUGNMNU-MUWHJKNJSA-N
XLogP3.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopropyl-5-methyl-2-[(1S,2R)-2-methylcyclopropyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cyclopropyl-5-methyl-2-[(1S,2R)-2-methylcyclopropyl]pyrimidin-4-amine (CID 10214558) is 6-chloro-N-cyclopropyl-5-methyl-2-[(1S,2R)-2-methylcyclopropyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclopropyl-5-methyl-2-[(1S,2R)-2-methylcyclopropyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cyclopropyl-5-methyl-2-[(1S,2R)-2-methylcyclopropyl]pyrimidin-4-amine is Cc1c(Cl)nc([C@H]2C[C@H]2C)nc1NC1CC1.
What is the InChIKey of 6-chloro-N-cyclopropyl-5-methyl-2-[(1S,2R)-2-methylcyclopropyl]pyrimidin-4-amine?
The InChIKey is CCAGEMGIUGNMNU-MUWHJKNJSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-6-5-9(6)12-15-10(13)7(2)11(16-12)14-8-3-4-8/h6,8-9H,3-5H2,1-2H3,(H,14,15,16)/t6-,9+/m1/s1.
What are the key properties of 6-chloro-N-cyclopropyl-5-methyl-2-[(1S,2R)-2-methylcyclopropyl]pyrimidin-4-amine?
6-chloro-N-cyclopropyl-5-methyl-2-[(1S,2R)-2-methylcyclopropyl]pyrimidin-4-amine has a molecular weight of 237.73 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopropyl-5-methyl-2-[(1S,2R)-2-methylcyclopropyl]pyrimidin-4-amine is sourced from PubChem (CID 10214558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).