6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine

C10H14ClN3 — CID 80970089

IUPAC6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C10H14ClN3/c1-3-12-9-6(2)8(11)13-10(14-9)7-4-5-7/h7H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyKVQJBQGATJINLY-UHFFFAOYSA-N
MW211.70 g/mol
LogP2.75
Rot. Bonds3

About 6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine

6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80970089) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
PubChem CID80970089
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C10H14ClN3/c1-3-12-9-6(2)8(11)13-10(14-9)7-4-5-7/h7H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyKVQJBQGATJINLY-UHFFFAOYSA-N
XLogP2.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine (CID 80970089) is 6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine is CCNc1nc(C2CC2)nc(Cl)c1C.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is KVQJBQGATJINLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-3-12-9-6(2)8(11)13-10(14-9)7-4-5-7/h7H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 211.70 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80970089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).