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

C11H20N4O — CID 106149824

IUPAC4-[(2-amino-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCc1cnc(N)nc1NCC(C)(C)CCO
InChIInChI=1S/C11H20N4O/c1-8-6-13-10(12)15-9(8)14-7-11(2,3)4-5-16/h6,16H,4-5,7H2,1-3H3,(H3,12,13,14,15)
InChIKeyINEMBDWJXHRCEU-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.19
Rot. Bonds5

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

4-[(2-amino-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol (PubChem CID 106149824) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-[(2-amino-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[(2-amino-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
PubChem CID106149824
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-[(2-amino-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
SMILESCc1cnc(N)nc1NCC(C)(C)CCO
InChIInChI=1S/C11H20N4O/c1-8-6-13-10(12)15-9(8)14-7-11(2,3)4-5-16/h6,16H,4-5,7H2,1-3H3,(H3,12,13,14,15)
InChIKeyINEMBDWJXHRCEU-UHFFFAOYSA-N
XLogP1.19
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.19
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-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[(2-amino-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol (CID 106149824) is 4-[(2-amino-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[(2-amino-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[(2-amino-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol is Cc1cnc(N)nc1NCC(C)(C)CCO.
What is the InChIKey of 4-[(2-amino-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol?
The InChIKey is INEMBDWJXHRCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8-6-13-10(12)15-9(8)14-7-11(2,3)4-5-16/h6,16H,4-5,7H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 4-[(2-amino-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol?
4-[(2-amino-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol has a molecular weight of 224.31 g/mol, XLogP of 1.19, 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-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 106149824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).