6-chloro-2-N-(cyclohexylmethyl)-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine

C13H18ClN5 — CID 90159113

IUPAC6-chloro-2-N-(cyclohexylmethyl)-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
SMILESC#CCNc1nc(Cl)nc(NCC2CCCCC2)n1
InChIInChI=1S/C13H18ClN5/c1-2-8-15-12-17-11(14)18-13(19-12)16-9-10-6-4-3-5-7-10/h1,10H,3-9H2,(H2,15,16,17,18,19)
InChIKeyWTULCXZJZPKZJD-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.56
Rot. Bonds5

About 6-chloro-2-N-(cyclohexylmethyl)-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-(cyclohexylmethyl)-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine (PubChem CID 90159113) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is 6-chloro-2-N-(cyclohexylmethyl)-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(cyclohexylmethyl)-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
PubChem CID90159113
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC Name6-chloro-2-N-(cyclohexylmethyl)-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
SMILESC#CCNc1nc(Cl)nc(NCC2CCCCC2)n1
InChIInChI=1S/C13H18ClN5/c1-2-8-15-12-17-11(14)18-13(19-12)16-9-10-6-4-3-5-7-10/h1,10H,3-9H2,(H2,15,16,17,18,19)
InChIKeyWTULCXZJZPKZJD-UHFFFAOYSA-N
XLogP2.56
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-chloro-2-N-(cyclohexylmethyl)-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-chloro-4-N-(cyclohexylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62864547
2-N,4-N-bis(cyclohexylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 23290172
6-chloro-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
CID 118444193
4,6-dichloro-N-(oxan-4-ylmethyl)-1,3,5-triazin-2-amine
CID 63705913
6-chloro-4-N-ethyl-2-N-[(1-methylpiperidin-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80811730
4-chloro-6-ethoxy-N-[(1-methylpiperidin-3-yl)methyl]-1,3,5-triazin-2-amine
CID 55124369
6-chloro-2-N-[(1-ethylpiperidin-4-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80811735
4-N-cyclohexyl-2-N-methoxy-2-N-methyl-6-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 118432233
4-chloro-N-(cyclopentylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 55125550
6-chloro-2-N-(cyclohexylmethyl)-4-N-ethyl-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80800037
6-chloro-4-N-methyl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 107298829
6-chloro-2-N-(3-cyclopentylpropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 106014974

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(cyclohexylmethyl)-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(cyclohexylmethyl)-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine (CID 90159113) is 6-chloro-2-N-(cyclohexylmethyl)-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(cyclohexylmethyl)-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(cyclohexylmethyl)-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine is C#CCNc1nc(Cl)nc(NCC2CCCCC2)n1.
What is the InChIKey of 6-chloro-2-N-(cyclohexylmethyl)-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine?
The InChIKey is WTULCXZJZPKZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c1-2-8-15-12-17-11(14)18-13(19-12)16-9-10-6-4-3-5-7-10/h1,10H,3-9H2,(H2,15,16,17,18,19).
What are the key properties of 6-chloro-2-N-(cyclohexylmethyl)-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(cyclohexylmethyl)-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine has a molecular weight of 279.77 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(cyclohexylmethyl)-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 90159113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).