6-chloro-4-N-cyclohexyl-2-(oxolan-2-yl)pyrimidine-4,5-diamine

C14H21ClN4O — CID 82459549

IUPAC6-chloro-4-N-cyclohexyl-2-(oxolan-2-yl)pyrimidine-4,5-diamine
SMILESNc1c(Cl)nc(C2CCCO2)nc1NC1CCCCC1
InChIInChI=1S/C14H21ClN4O/c15-12-11(16)14(17-9-5-2-1-3-6-9)19-13(18-12)10-7-4-8-20-10/h9-10H,1-8,16H2,(H,17,18,19)
InChIKeyXIXLZAWLYLAKRW-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.31
Rot. Bonds3

About 6-chloro-4-N-cyclohexyl-2-(oxolan-2-yl)pyrimidine-4,5-diamine

6-chloro-4-N-cyclohexyl-2-(oxolan-2-yl)pyrimidine-4,5-diamine (PubChem CID 82459549) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 6-chloro-4-N-cyclohexyl-2-(oxolan-2-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-cyclohexyl-2-(oxolan-2-yl)pyrimidine-4,5-diamine
PubChem CID82459549
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name6-chloro-4-N-cyclohexyl-2-(oxolan-2-yl)pyrimidine-4,5-diamine
SMILESNc1c(Cl)nc(C2CCCO2)nc1NC1CCCCC1
InChIInChI=1S/C14H21ClN4O/c15-12-11(16)14(17-9-5-2-1-3-6-9)19-13(18-12)10-7-4-8-20-10/h9-10H,1-8,16H2,(H,17,18,19)
InChIKeyXIXLZAWLYLAKRW-UHFFFAOYSA-N
XLogP3.31
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-(oxolan-2-yl)-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine
CID 82459531
6-chloro-4-N-cyclohexyl-2-(trifluoromethyl)pyrimidine-4,5-diamine
CID 138684457
4-N-ethyl-6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
CID 82457926
6-chloro-4-N-cyclohexyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82459511
6-chloro-2-methyl-4-N-(oxan-4-yl)pyrimidine-4,5-diamine
CID 59374557
6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82459498
6-ethoxy-2-(oxolan-2-yl)-4-N-pentylpyrimidine-4,5-diamine
CID 82457901
6-methoxy-2-(oxolan-2-yl)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82457859
6-chloro-N-cycloheptyl-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80970000
4-N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidine-4,5-diamine
CID 82457921
6-ethoxy-4-N-(3-ethoxypropyl)-2-(oxolan-2-yl)pyrimidine-4,5-diamine
CID 82457894
6-methoxy-2-(oxolan-2-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82457877

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-cyclohexyl-2-(oxolan-2-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-cyclohexyl-2-(oxolan-2-yl)pyrimidine-4,5-diamine (CID 82459549) is 6-chloro-4-N-cyclohexyl-2-(oxolan-2-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-cyclohexyl-2-(oxolan-2-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-cyclohexyl-2-(oxolan-2-yl)pyrimidine-4,5-diamine is Nc1c(Cl)nc(C2CCCO2)nc1NC1CCCCC1.
What is the InChIKey of 6-chloro-4-N-cyclohexyl-2-(oxolan-2-yl)pyrimidine-4,5-diamine?
The InChIKey is XIXLZAWLYLAKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c15-12-11(16)14(17-9-5-2-1-3-6-9)19-13(18-12)10-7-4-8-20-10/h9-10H,1-8,16H2,(H,17,18,19).
What are the key properties of 6-chloro-4-N-cyclohexyl-2-(oxolan-2-yl)pyrimidine-4,5-diamine?
6-chloro-4-N-cyclohexyl-2-(oxolan-2-yl)pyrimidine-4,5-diamine has a molecular weight of 296.80 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-cyclohexyl-2-(oxolan-2-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82459549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).