6-chloro-4-N-methyl-2-N-pentyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C12H22ClN5 — CID 80809869

IUPAC6-chloro-4-N-methyl-2-N-pentyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCCCCN(c1nc(Cl)nc(NC)n1)C(C)C
InChIInChI=1S/C12H22ClN5/c1-5-6-7-8-18(9(2)3)12-16-10(13)15-11(14-4)17-12/h9H,5-8H2,1-4H3,(H,14,15,16,17)
InChIKeyARMUMIRRPAOTQX-UHFFFAOYSA-N
MW271.80 g/mol
LogP2.97
Rot. Bonds7

About 6-chloro-4-N-methyl-2-N-pentyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

6-chloro-4-N-methyl-2-N-pentyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80809869) has the molecular formula C12H22ClN5 and a molecular weight of 271.80 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-2-N-pentyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-2-N-pentyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID80809869
Molecular FormulaC12H22ClN5
Molecular Weight271.80 g/mol
Exact Mass271.16
IUPAC Name6-chloro-4-N-methyl-2-N-pentyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCCCCCN(c1nc(Cl)nc(NC)n1)C(C)C
InChIInChI=1S/C12H22ClN5/c1-5-6-7-8-18(9(2)3)12-16-10(13)15-11(14-4)17-12/h9H,5-8H2,1-4H3,(H,14,15,16,17)
InChIKeyARMUMIRRPAOTQX-UHFFFAOYSA-N
XLogP2.97
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.80
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-chloro-4-N-methyl-2-N-pentyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-chloro-2-N,2-N-dihexyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 604297
3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile
CID 80810624
6-chloro-2-N-ethyl-2-N-propan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774018
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-pentan-3-ylamino]ethanol
CID 80810701
6-chloro-2-N-(2-methoxyethyl)-2-N-propan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 82953220
4-hydrazinyl-N-pentyl-N-propan-2-yl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80900261
6-chloro-4-N-methyl-2-N-octyl-1,3,5-triazine-2,4-diamine
CID 113336801
4,6-dichloro-N,N-dipentyl-1,3,5-triazin-2-amine
CID 178072208
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]propan-1-ol
CID 62864995
6-chloro-2-N-(cyclopropylmethyl)-4-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80799483
4-chloro-6-ethoxy-N-propan-2-yl-N-propyl-1,3,5-triazin-2-amine
CID 55124321
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
CID 80806563

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-methyl-2-N-pentyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-methyl-2-N-pentyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 80809869) is 6-chloro-4-N-methyl-2-N-pentyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-2-N-pentyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-2-N-pentyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CCCCCN(c1nc(Cl)nc(NC)n1)C(C)C.
What is the InChIKey of 6-chloro-4-N-methyl-2-N-pentyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is ARMUMIRRPAOTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN5/c1-5-6-7-8-18(9(2)3)12-16-10(13)15-11(14-4)17-12/h9H,5-8H2,1-4H3,(H,14,15,16,17).
What are the key properties of 6-chloro-4-N-methyl-2-N-pentyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-methyl-2-N-pentyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 271.80 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-methyl-2-N-pentyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80809869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).