2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine

C9H11Cl2N3 — CID 89032813

IUPAC2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)nc(Cl)nc1NC1CC1
InChIInChI=1S/C9H11Cl2N3/c1-2-6-7(10)13-9(11)14-8(6)12-5-3-4-5/h5H,2-4H2,1H3,(H,12,13,14)
InChIKeyDMXSNCNURXGVIU-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.92
Rot. Bonds3

About 2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine

2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine (PubChem CID 89032813) has the molecular formula C9H11Cl2N3 and a molecular weight of 232.11 g/mol. Its IUPAC name is 2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine
PubChem CID89032813
Molecular FormulaC9H11Cl2N3
Molecular Weight232.11 g/mol
Exact Mass231.03
IUPAC Name2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)nc(Cl)nc1NC1CC1
InChIInChI=1S/C9H11Cl2N3/c1-2-6-7(10)13-9(11)14-8(6)12-5-3-4-5/h5H,2-4H2,1H3,(H,12,13,14)
InChIKeyDMXSNCNURXGVIU-UHFFFAOYSA-N
XLogP2.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine
CID 63734410
N-(1-tert-butylpiperidin-4-yl)-6-chloro-5-ethyl-2-methylpyrimidin-4-amine
CID 133318911
6-chloro-5-ethyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 63729756
ethyl 2-[2,4-dichloro-6-(piperidin-4-ylamino)pyrimidin-5-yl]acetate
CID 59210364
2-chloro-N-cyclopropyl-7-ethylpurin-6-amine
CID 82460237
2-chloro-6-ethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320521
6-chloro-2-ethyl-5-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80970615
1-tert-butyl-4-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 133342356
6-chloro-N-(1,1-dioxothiolan-3-yl)-5-ethyl-2-phenylpyrimidin-4-amine
CID 133388376
4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine
CID 22254066
2-chloro-N-cyclohexyl-5,6-dimethylpyrimidin-4-amine
CID 82460626
3,6-dichloro-N-cyclopentyl-1,2,4-triazin-5-amine
CID 81035319

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine?
The IUPAC name of 2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine (CID 89032813) is 2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine.
What is the SMILES notation for 2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine?
The canonical SMILES for 2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine is CCc1c(Cl)nc(Cl)nc1NC1CC1.
What is the InChIKey of 2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine?
The InChIKey is DMXSNCNURXGVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3/c1-2-6-7(10)13-9(11)14-8(6)12-5-3-4-5/h5H,2-4H2,1H3,(H,12,13,14).
What are the key properties of 2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine?
2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine has a molecular weight of 232.11 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-cyclopropyl-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 89032813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).