6-chloro-N-cyclopropyl-2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine

C12H16ClN3 — CID 10149179

IUPAC6-chloro-N-cyclopropyl-2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(CC2CC2)nc1NC1CC1
InChIInChI=1S/C12H16ClN3/c1-7-11(13)15-10(6-8-2-3-8)16-12(7)14-9-4-5-9/h8-9H,2-6H2,1H3,(H,14,15,16)
InChIKeyZZPLOCJJEGNJNP-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.97
Rot. Bonds4

About 6-chloro-N-cyclopropyl-2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine

6-chloro-N-cyclopropyl-2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine (PubChem CID 10149179) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 6-chloro-N-cyclopropyl-2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopropyl-2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine
PubChem CID10149179
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name6-chloro-N-cyclopropyl-2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(CC2CC2)nc1NC1CC1
InChIInChI=1S/C12H16ClN3/c1-7-11(13)15-10(6-8-2-3-8)16-12(7)14-9-4-5-9/h8-9H,2-6H2,1H3,(H,14,15,16)
InChIKeyZZPLOCJJEGNJNP-UHFFFAOYSA-N
XLogP2.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.97
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-2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cyclopropyl-2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine (CID 10149179) is 6-chloro-N-cyclopropyl-2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclopropyl-2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cyclopropyl-2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine is Cc1c(Cl)nc(CC2CC2)nc1NC1CC1.
What is the InChIKey of 6-chloro-N-cyclopropyl-2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine?
The InChIKey is ZZPLOCJJEGNJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-7-11(13)15-10(6-8-2-3-8)16-12(7)14-9-4-5-9/h8-9H,2-6H2,1H3,(H,14,15,16).
What are the key properties of 6-chloro-N-cyclopropyl-2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine?
6-chloro-N-cyclopropyl-2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine has a molecular weight of 237.73 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopropyl-2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 10149179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).