1-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]propan-2-ol

C12H22N4O — CID 80993136

IUPAC1-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]propan-2-ol
SMILESCc1c(N)nc(C(C)(C)C)nc1NCC(C)O
InChIInChI=1S/C12H22N4O/c1-7(17)6-14-10-8(2)9(13)15-11(16-10)12(3,4)5/h7,17H,6H2,1-5H3,(H3,13,14,15,16)
InChIKeyYZVBXXZHPYFWTM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.46
Rot. Bonds3

About 1-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]propan-2-ol

1-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]propan-2-ol (PubChem CID 80993136) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]propan-2-ol
PubChem CID80993136
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]propan-2-ol
SMILESCc1c(N)nc(C(C)(C)C)nc1NCC(C)O
InChIInChI=1S/C12H22N4O/c1-7(17)6-14-10-8(2)9(13)15-11(16-10)12(3,4)5/h7,17H,6H2,1-5H3,(H3,13,14,15,16)
InChIKeyYZVBXXZHPYFWTM-UHFFFAOYSA-N
XLogP1.46
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]propan-2-ol (CID 80993136) is 1-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]propan-2-ol is Cc1c(N)nc(C(C)(C)C)nc1NCC(C)O.
What is the InChIKey of 1-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]propan-2-ol?
The InChIKey is YZVBXXZHPYFWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-7(17)6-14-10-8(2)9(13)15-11(16-10)12(3,4)5/h7,17H,6H2,1-5H3,(H3,13,14,15,16).
What are the key properties of 1-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]propan-2-ol?
1-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]propan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 80993136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).