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

C10H17ClN4O — CID 106149814

IUPAC4-[(2-amino-5-chloropyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNc1nc(N)ncc1Cl
InChIInChI=1S/C10H17ClN4O/c1-10(2,3-4-16)6-14-8-7(11)5-13-9(12)15-8/h5,16H,3-4,6H2,1-2H3,(H3,12,13,14,15)
InChIKeyFNDBJNDGZDYRHA-UHFFFAOYSA-N
MW244.73 g/mol
LogP1.53
Rot. Bonds5

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

4-[(2-amino-5-chloropyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol (PubChem CID 106149814) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 4-[(2-amino-5-chloropyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[(2-amino-5-chloropyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
PubChem CID106149814
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name4-[(2-amino-5-chloropyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)CNc1nc(N)ncc1Cl
InChIInChI=1S/C10H17ClN4O/c1-10(2,3-4-16)6-14-8-7(11)5-13-9(12)15-8/h5,16H,3-4,6H2,1-2H3,(H3,12,13,14,15)
InChIKeyFNDBJNDGZDYRHA-UHFFFAOYSA-N
XLogP1.53
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5-chloropyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[(2-amino-5-chloropyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol (CID 106149814) is 4-[(2-amino-5-chloropyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[(2-amino-5-chloropyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[(2-amino-5-chloropyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol is CC(C)(CCO)CNc1nc(N)ncc1Cl.
What is the InChIKey of 4-[(2-amino-5-chloropyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol?
The InChIKey is FNDBJNDGZDYRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O/c1-10(2,3-4-16)6-14-8-7(11)5-13-9(12)15-8/h5,16H,3-4,6H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 4-[(2-amino-5-chloropyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol?
4-[(2-amino-5-chloropyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol has a molecular weight of 244.73 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-5-chloropyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 106149814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).