2-[[(2-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol

C11H19ClN4O — CID 114165208

IUPAC2-[[(2-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1nc(N)ncc1Cl
InChIInChI=1S/C11H19ClN4O/c1-3-11(4-2,7-17)6-15-9-8(12)5-14-10(13)16-9/h5,17H,3-4,6-7H2,1-2H3,(H3,13,14,15,16)
InChIKeyHNTKXNOYNJXQHR-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.92
Rot. Bonds6

About 2-[[(2-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol

2-[[(2-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol (PubChem CID 114165208) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 2-[[(2-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[(2-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
PubChem CID114165208
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name2-[[(2-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1nc(N)ncc1Cl
InChIInChI=1S/C11H19ClN4O/c1-3-11(4-2,7-17)6-15-9-8(12)5-14-10(13)16-9/h5,17H,3-4,6-7H2,1-2H3,(H3,13,14,15,16)
InChIKeyHNTKXNOYNJXQHR-UHFFFAOYSA-N
XLogP1.92
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366556
2-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106258368
2-[[[5-chloro-2-(propylamino)pyrimidin-4-yl]amino]methyl]-2-ethylbutan-1-ol
CID 106258279
2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 106258224
4-[(2-amino-5-chloropyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149814
5-chloro-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80777087
2-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 106251512
2-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106258455
1-[(2-amino-5-chloropyrimidin-4-yl)amino]-3-ethylpentan-2-ol
CID 106288959
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-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366465

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[(2-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol (CID 114165208) is 2-[[(2-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[(2-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[(2-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNc1nc(N)ncc1Cl.
What is the InChIKey of 2-[[(2-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol?
The InChIKey is HNTKXNOYNJXQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c1-3-11(4-2,7-17)6-15-9-8(12)5-14-10(13)16-9/h5,17H,3-4,6-7H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 2-[[(2-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol?
2-[[(2-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol has a molecular weight of 258.75 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-5-chloropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 114165208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).