1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4,4-dimethylpentan-2-ol

C13H24ClN5O — CID 107159512

IUPAC1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4,4-dimethylpentan-2-ol
SMILESCCCNc1nc(Cl)nc(NCC(O)CC(C)(C)C)n1
InChIInChI=1S/C13H24ClN5O/c1-5-6-15-11-17-10(14)18-12(19-11)16-8-9(20)7-13(2,3)4/h9,20H,5-8H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyILBZAECQVNBALK-UHFFFAOYSA-N
MW301.82 g/mol
LogP2.56
Rot. Bonds7

About 1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4,4-dimethylpentan-2-ol

1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4,4-dimethylpentan-2-ol (PubChem CID 107159512) has the molecular formula C13H24ClN5O and a molecular weight of 301.82 g/mol. Its IUPAC name is 1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4,4-dimethylpentan-2-ol
PubChem CID107159512
Molecular FormulaC13H24ClN5O
Molecular Weight301.82 g/mol
Exact Mass301.17
IUPAC Name1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4,4-dimethylpentan-2-ol
SMILESCCCNc1nc(Cl)nc(NCC(O)CC(C)(C)C)n1
InChIInChI=1S/C13H24ClN5O/c1-5-6-15-11-17-10(14)18-12(19-11)16-8-9(20)7-13(2,3)4/h9,20H,5-8H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyILBZAECQVNBALK-UHFFFAOYSA-N
XLogP2.56
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4,4-dimethylpentan-2-ol with MolForge

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Related Compounds

1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159595
1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-ethylpentan-2-ol
CID 106288996
4,4-dimethyl-1-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 107159611
4,4-dimethyl-1-[[2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 107159619
2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766369
6-chloro-2-N-(2,2-dimethylbutyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 103466661
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
5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324197
3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2,2-difluoropropan-1-ol
CID 106179428
1-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159577
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 80848823

Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4,4-dimethylpentan-2-ol (CID 107159512) is 1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4,4-dimethylpentan-2-ol is CCCNc1nc(Cl)nc(NCC(O)CC(C)(C)C)n1.
What is the InChIKey of 1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4,4-dimethylpentan-2-ol?
The InChIKey is ILBZAECQVNBALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN5O/c1-5-6-15-11-17-10(14)18-12(19-11)16-8-9(20)7-13(2,3)4/h9,20H,5-8H2,1-4H3,(H2,15,16,17,18,19).
What are the key properties of 1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4,4-dimethylpentan-2-ol?
1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4,4-dimethylpentan-2-ol has a molecular weight of 301.82 g/mol, XLogP of 2.56, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107159512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).