6-chloro-2-cyclopropyl-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine

C15H20ClN5O — CID 133419008

IUPAC6-chloro-2-cyclopropyl-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine
SMILESCOCCn1nc(C)c(Nc2cc(Cl)nc(C3CC3)n2)c1C
InChIInChI=1S/C15H20ClN5O/c1-9-14(10(2)21(20-9)6-7-22-3)18-13-8-12(16)17-15(19-13)11-4-5-11/h8,11H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyDOJCHNXFJWFNST-UHFFFAOYSA-N
MW321.81 g/mol
LogP3.21
Rot. Bonds6

About 6-chloro-2-cyclopropyl-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine (PubChem CID 133419008) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine
PubChem CID133419008
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC Name6-chloro-2-cyclopropyl-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine
SMILESCOCCn1nc(C)c(Nc2cc(Cl)nc(C3CC3)n2)c1C
InChIInChI=1S/C15H20ClN5O/c1-9-14(10(2)21(20-9)6-7-22-3)18-13-8-12(16)17-15(19-13)11-4-5-11/h8,11H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyDOJCHNXFJWFNST-UHFFFAOYSA-N
XLogP3.21
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-2-cyclopropyl-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-2-cyclopropyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine
CID 80951240
2-cyclopropyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrimidin-4-amine
CID 133299001
N-(1-butyl-5-methylpyrazol-4-yl)-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 133421624
6-chloro-N-(5-chloro-2-methylphenyl)-2-cyclopropylpyrimidin-4-amine
CID 80948774
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 133432325
6-chloro-2-cyclopropyl-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrimidin-4-amine
CID 133459759
methyl 4-chloro-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]amino]-1,3-thiazole-5-carboxylate
CID 133429450
6-chloro-N-(2-chloro-4-methylphenyl)-2-cyclopropylpyrimidin-4-amine
CID 80948882
N'-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N-(3,5-dimethoxyphenyl)ethane-1,2-diamine
CID 86814390
3-cyclopropyl-1-(2-methoxyethyl)pyrazol-5-amine
CID 118340914
2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009409
6-chloro-2-cyclopropyl-N-(2,3-dimethylbutyl)pyrimidin-4-amine
CID 80950847

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine (CID 133419008) is 6-chloro-2-cyclopropyl-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine is COCCn1nc(C)c(Nc2cc(Cl)nc(C3CC3)n2)c1C.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine?
The InChIKey is DOJCHNXFJWFNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O/c1-9-14(10(2)21(20-9)6-7-22-3)18-13-8-12(16)17-15(19-13)11-4-5-11/h8,11H,4-7H2,1-3H3,(H,17,18,19).
What are the key properties of 6-chloro-2-cyclopropyl-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine has a molecular weight of 321.81 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 133419008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).