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

C9H16ClN5O — CID 106149742

IUPAC4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNc1nc(N)nc(Cl)n1
InChIInChI=1S/C9H16ClN5O/c1-9(2,3-4-16)5-12-8-14-6(10)13-7(11)15-8/h16H,3-5H2,1-2H3,(H3,11,12,13,14,15)
InChIKeyUKHBFAKCQCPLQJ-UHFFFAOYSA-N
MW245.71 g/mol
LogP0.93
Rot. Bonds5

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

4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol (PubChem CID 106149742) has the molecular formula C9H16ClN5O and a molecular weight of 245.71 g/mol. Its IUPAC name is 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol
PubChem CID106149742
Molecular FormulaC9H16ClN5O
Molecular Weight245.71 g/mol
Exact Mass245.10
IUPAC Name4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNc1nc(N)nc(Cl)n1
InChIInChI=1S/C9H16ClN5O/c1-9(2,3-4-16)5-12-8-14-6(10)13-7(11)15-8/h16H,3-5H2,1-2H3,(H3,11,12,13,14,15)
InChIKeyUKHBFAKCQCPLQJ-UHFFFAOYSA-N
XLogP0.93
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]hexan-1-ol
CID 107855348
N-[1-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 80838189
5-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol
CID 106150060
4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol
CID 113244350
5-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol
CID 106150044
4-[(2-amino-5-chloropyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149814
6-chloro-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
CID 118444193
3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
CID 106098676
2-[1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopropyl]ethanol
CID 114759634
6-chloro-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4-diamine
CID 80770653
3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-hydroxypropanamide
CID 106178882
4-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3,3-dimethylbutan-1-ol
CID 114150223

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol (CID 106149742) is 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol is CC(C)(CCO)CNc1nc(N)nc(Cl)n1.
What is the InChIKey of 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol?
The InChIKey is UKHBFAKCQCPLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5O/c1-9(2,3-4-16)5-12-8-14-6(10)13-7(11)15-8/h16H,3-5H2,1-2H3,(H3,11,12,13,14,15).
What are the key properties of 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol?
4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol has a molecular weight of 245.71 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 106149742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).