6-chloro-2-cyclopropyl-N-[4-[(dimethylamino)methyl]cyclohexyl]pyrimidin-4-amine

C16H25ClN4 — CID 133421904

IUPAC6-chloro-2-cyclopropyl-N-[4-[(dimethylamino)methyl]cyclohexyl]pyrimidin-4-amine
SMILESCN(C)CC1CCC(Nc2cc(Cl)nc(C3CC3)n2)CC1
InChIInChI=1S/C16H25ClN4/c1-21(2)10-11-3-7-13(8-4-11)18-15-9-14(17)19-16(20-15)12-5-6-12/h9,11-13H,3-8,10H2,1-2H3,(H,18,19,20)
InChIKeyVZCJFNOXEYPQNF-UHFFFAOYSA-N
MW308.86 g/mol
LogP3.54
Rot. Bonds5

About 6-chloro-2-cyclopropyl-N-[4-[(dimethylamino)methyl]cyclohexyl]pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-[4-[(dimethylamino)methyl]cyclohexyl]pyrimidin-4-amine (PubChem CID 133421904) has the molecular formula C16H25ClN4 and a molecular weight of 308.86 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-[4-[(dimethylamino)methyl]cyclohexyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-[4-[(dimethylamino)methyl]cyclohexyl]pyrimidin-4-amine
PubChem CID133421904
Molecular FormulaC16H25ClN4
Molecular Weight308.86 g/mol
Exact Mass308.18
IUPAC Name6-chloro-2-cyclopropyl-N-[4-[(dimethylamino)methyl]cyclohexyl]pyrimidin-4-amine
SMILESCN(C)CC1CCC(Nc2cc(Cl)nc(C3CC3)n2)CC1
InChIInChI=1S/C16H25ClN4/c1-21(2)10-11-3-7-13(8-4-11)18-15-9-14(17)19-16(20-15)12-5-6-12/h9,11-13H,3-8,10H2,1-2H3,(H,18,19,20)
InChIKeyVZCJFNOXEYPQNF-UHFFFAOYSA-N
XLogP3.54
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.86
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-cyclopropyl-N-(cyclopropylmethyl)-N-methylpyrimidin-4-amine
CID 80953708
6-chloro-2-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine
CID 80951663
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 80948311
6-chloro-2-cyclopropyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine
CID 103880252
1-[4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one
CID 133418296
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 80953399
6-chloro-2-cyclopropyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 82463101
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 80950737
ethyl 3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentane-1-carboxylate
CID 133420616
2-cyclopropyl-6-N-methyl-4-N-(4-propylcyclohexyl)pyrimidine-4,6-diamine
CID 80961016
6-chloro-2-cyclopropyl-N-(2,3-dimethylbutyl)pyrimidin-4-amine
CID 80950847
6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine
CID 115875632

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-[4-[(dimethylamino)methyl]cyclohexyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-[4-[(dimethylamino)methyl]cyclohexyl]pyrimidin-4-amine (CID 133421904) is 6-chloro-2-cyclopropyl-N-[4-[(dimethylamino)methyl]cyclohexyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-[4-[(dimethylamino)methyl]cyclohexyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-[4-[(dimethylamino)methyl]cyclohexyl]pyrimidin-4-amine is CN(C)CC1CCC(Nc2cc(Cl)nc(C3CC3)n2)CC1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-[4-[(dimethylamino)methyl]cyclohexyl]pyrimidin-4-amine?
The InChIKey is VZCJFNOXEYPQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4/c1-21(2)10-11-3-7-13(8-4-11)18-15-9-14(17)19-16(20-15)12-5-6-12/h9,11-13H,3-8,10H2,1-2H3,(H,18,19,20).
What are the key properties of 6-chloro-2-cyclopropyl-N-[4-[(dimethylamino)methyl]cyclohexyl]pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-[4-[(dimethylamino)methyl]cyclohexyl]pyrimidin-4-amine has a molecular weight of 308.86 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-[4-[(dimethylamino)methyl]cyclohexyl]pyrimidin-4-amine is sourced from PubChem (CID 133421904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).