2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine

C10H18ClN5 — CID 80766369

IUPAC2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(NC(C)CC)n1
InChIInChI=1S/C10H18ClN5/c1-4-6-12-9-14-8(11)15-10(16-9)13-7(3)5-2/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyLQJLYXDTZNHSFI-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.56
Rot. Bonds6

About 2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine

2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80766369) has the molecular formula C10H18ClN5 and a molecular weight of 243.74 g/mol. Its IUPAC name is 2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80766369
Molecular FormulaC10H18ClN5
Molecular Weight243.74 g/mol
Exact Mass243.13
IUPAC Name2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(NC(C)CC)n1
InChIInChI=1S/C10H18ClN5/c1-4-6-12-9-14-8(11)15-10(16-9)13-7(3)5-2/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
InChIKeyLQJLYXDTZNHSFI-UHFFFAOYSA-N
XLogP2.56
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80769646
6-chloro-2-N-(4-methylpentan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80782797
6-chloro-2-N-(1-methoxypropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 21161219
6-chloro-2-N-(3-methylpentan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80803496
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 80848823
6-chloro-4-N-propyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80829700
6-chloro-2-N-(2,2-dimethylbutyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 103466661
4-chloro-6-ethyl-N-propyl-1,3,5-triazin-2-amine
CID 118932882
6-chloro-2-N-(7-methyloctyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 107818966
1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-ethylpentan-2-ol
CID 106288996
6-chloro-2-N-[1-(2-methylphenyl)ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80783674
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-1-ol
CID 106198836

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80766369) is 2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Cl)nc(NC(C)CC)n1.
What is the InChIKey of 2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is LQJLYXDTZNHSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN5/c1-4-6-12-9-14-8(11)15-10(16-9)13-7(3)5-2/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16).
What are the key properties of 2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 243.74 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80766369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).