3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol

C9H15ClN4O — CID 115366556

IUPAC3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1nc(N)ncc1Cl
InChIInChI=1S/C9H15ClN4O/c1-9(2,5-15)4-13-7-6(10)3-12-8(11)14-7/h3,15H,4-5H2,1-2H3,(H3,11,12,13,14)
InChIKeyCRNBGNLDVJLQOB-UHFFFAOYSA-N
MW230.70 g/mol
LogP1.14
Rot. Bonds4

About 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol

3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol (PubChem CID 115366556) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
PubChem CID115366556
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1nc(N)ncc1Cl
InChIInChI=1S/C9H15ClN4O/c1-9(2,5-15)4-13-7-6(10)3-12-8(11)14-7/h3,15H,4-5H2,1-2H3,(H3,11,12,13,14)
InChIKeyCRNBGNLDVJLQOB-UHFFFAOYSA-N
XLogP1.14
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol with MolForge

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Related Compounds

4-[(2-amino-5-chloropyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149814
2-[[(2-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 114165208
3-[(2-amino-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366465
5-chloro-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80777087
3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366625
3-[(2-amino-5-bromopyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366526
4-[(2-amino-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149824
5-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80851975
5-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine
CID 130505088
3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-tert-butylpropanamide
CID 113411173
1-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-ethylpentan-2-ol
CID 106288959
4-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 114150365

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol (CID 115366556) is 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNc1nc(N)ncc1Cl.
What is the InChIKey of 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol?
The InChIKey is CRNBGNLDVJLQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O/c1-9(2,5-15)4-13-7-6(10)3-12-8(11)14-7/h3,15H,4-5H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol?
3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol has a molecular weight of 230.70 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115366556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).