6-chloro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-4,5-diamine

C14H23ClN4 — CID 103965332

IUPAC6-chloro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-4,5-diamine
SMILESCC1(C)CC(Nc2ncnc(Cl)c2N)CC(C)(C)C1
InChIInChI=1S/C14H23ClN4/c1-13(2)5-9(6-14(3,4)7-13)19-12-10(16)11(15)17-8-18-12/h8-9H,5-7,16H2,1-4H3,(H,17,18,19)
InChIKeyKEWSEDNSEGURSQ-UHFFFAOYSA-N
MW282.82 g/mol
LogP3.73
Rot. Bonds2

About 6-chloro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-4,5-diamine

6-chloro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-4,5-diamine (PubChem CID 103965332) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is 6-chloro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-4,5-diamine
PubChem CID103965332
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC Name6-chloro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-4,5-diamine
SMILESCC1(C)CC(Nc2ncnc(Cl)c2N)CC(C)(C)C1
InChIInChI=1S/C14H23ClN4/c1-13(2)5-9(6-14(3,4)7-13)19-12-10(16)11(15)17-8-18-12/h8-9H,5-7,16H2,1-4H3,(H,17,18,19)
InChIKeyKEWSEDNSEGURSQ-UHFFFAOYSA-N
XLogP3.73
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(3,3,5,5-tetramethylcyclohexyl)pyrazin-2-amine
CID 103968163
2-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-2,5-diamine
CID 103965308
6-chloro-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,3-diamine
CID 103965270
3,5-dichloro-6-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,6-diamine
CID 102759574
6-chloro-4-N-(4-propylcyclohexyl)pyrimidine-4,5-diamine
CID 55143310
4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol
CID 14104444
6-chloro-4-N-(2,2-dimethylcyclohexyl)pyrimidine-4,5-diamine
CID 79862142
3,5,6-trichloro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine
CID 102751760
methyl 3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclohexane-1-carboxylate
CID 139295528
6-methoxy-5-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidin-4-amine
CID 103967116
4-[(5-amino-6-chloropyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106182693
5-chloro-4-N-(3,3-dimethylcyclopentyl)pyrimidine-4,6-diamine
CID 106812350

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-4,5-diamine (CID 103965332) is 6-chloro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-4,5-diamine is CC1(C)CC(Nc2ncnc(Cl)c2N)CC(C)(C)C1.
What is the InChIKey of 6-chloro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-4,5-diamine?
The InChIKey is KEWSEDNSEGURSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-13(2)5-9(6-14(3,4)7-13)19-12-10(16)11(15)17-8-18-12/h8-9H,5-7,16H2,1-4H3,(H,17,18,19).
What are the key properties of 6-chloro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-4,5-diamine?
6-chloro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-4,5-diamine has a molecular weight of 282.82 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 103965332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).