5-chloro-4-N-(4-pyrazin-2-yloxycyclohexyl)pyrimidine-4,6-diamine

C14H17ClN6O — CID 100652822

IUPAC5-chloro-4-N-(4-pyrazin-2-yloxycyclohexyl)pyrimidine-4,6-diamine
SMILESNc1ncnc(NC2CCC(Oc3cnccn3)CC2)c1Cl
InChIInChI=1S/C14H17ClN6O/c15-12-13(16)19-8-20-14(12)21-9-1-3-10(4-2-9)22-11-7-17-5-6-18-11/h5-10H,1-4H2,(H3,16,19,20,21)
InChIKeyVLSQICJPVWHHOT-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.30
Rot. Bonds4

About 5-chloro-4-N-(4-pyrazin-2-yloxycyclohexyl)pyrimidine-4,6-diamine

5-chloro-4-N-(4-pyrazin-2-yloxycyclohexyl)pyrimidine-4,6-diamine (PubChem CID 100652822) has the molecular formula C14H17ClN6O and a molecular weight of 320.78 g/mol. Its IUPAC name is 5-chloro-4-N-(4-pyrazin-2-yloxycyclohexyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(4-pyrazin-2-yloxycyclohexyl)pyrimidine-4,6-diamine
PubChem CID100652822
Molecular FormulaC14H17ClN6O
Molecular Weight320.78 g/mol
Exact Mass320.12
IUPAC Name5-chloro-4-N-(4-pyrazin-2-yloxycyclohexyl)pyrimidine-4,6-diamine
SMILESNc1ncnc(NC2CCC(Oc3cnccn3)CC2)c1Cl
InChIInChI=1S/C14H17ClN6O/c15-12-13(16)19-8-20-14(12)21-9-1-3-10(4-2-9)22-11-7-17-5-6-18-11/h5-10H,1-4H2,(H3,16,19,20,21)
InChIKeyVLSQICJPVWHHOT-UHFFFAOYSA-N
XLogP2.30
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-pyrazin-2-yloxycyclohexan-1-ol
CID 117051403
N-(4-pyrazin-2-yloxycyclohexyl)ethenesulfonamide
CID 167791755
5-chloro-4-N-(3,3-dimethylcyclopentyl)pyrimidine-4,6-diamine
CID 106812350
5-chloro-4-N-(3,3-dimethylcyclohexyl)pyrimidine-4,6-diamine
CID 106812467
2-cyclopentyl-N-(4-pyrazin-2-yloxycyclohexyl)acetamide
CID 91626028
5-chloro-4-N-[1-(oxolan-3-yl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 154741850
N-(4-pyrazin-2-yloxycyclohexyl)-1,2-oxazole-5-carboxamide
CID 91626018
4-N-cyclopropyl-5-nitropyrimidine-4,6-diamine
CID 80770430
N-(4-pyrazin-2-yloxycyclohexyl)furan-2-carboxamide
CID 91626044
5-methyl-N-(4-pyrazin-2-yloxycyclohexyl)-1,2-oxazole-4-carboxamide
CID 91626087
8-[4-[(6-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine
CID 156673091
5-chloro-2-N-cyclopropylpyridine-2,3,4-triamine
CID 91239284

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(4-pyrazin-2-yloxycyclohexyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-(4-pyrazin-2-yloxycyclohexyl)pyrimidine-4,6-diamine (CID 100652822) is 5-chloro-4-N-(4-pyrazin-2-yloxycyclohexyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-(4-pyrazin-2-yloxycyclohexyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-(4-pyrazin-2-yloxycyclohexyl)pyrimidine-4,6-diamine is Nc1ncnc(NC2CCC(Oc3cnccn3)CC2)c1Cl.
What is the InChIKey of 5-chloro-4-N-(4-pyrazin-2-yloxycyclohexyl)pyrimidine-4,6-diamine?
The InChIKey is VLSQICJPVWHHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6O/c15-12-13(16)19-8-20-14(12)21-9-1-3-10(4-2-9)22-11-7-17-5-6-18-11/h5-10H,1-4H2,(H3,16,19,20,21).
What are the key properties of 5-chloro-4-N-(4-pyrazin-2-yloxycyclohexyl)pyrimidine-4,6-diamine?
5-chloro-4-N-(4-pyrazin-2-yloxycyclohexyl)pyrimidine-4,6-diamine has a molecular weight of 320.78 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(4-pyrazin-2-yloxycyclohexyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 100652822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).