3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol

C12H22N4O — CID 113484576

IUPAC3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
SMILESCC(C)c1nc(N)cc(NC(C)C(C)CO)n1
InChIInChI=1S/C12H22N4O/c1-7(2)12-15-10(13)5-11(16-12)14-9(4)8(3)6-17/h5,7-9,17H,6H2,1-4H3,(H3,13,14,15,16)
InChIKeySLIYTCQPKHWXPW-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.61
Rot. Bonds5

About 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol

3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol (PubChem CID 113484576) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
PubChem CID113484576
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
SMILESCC(C)c1nc(N)cc(NC(C)C(C)CO)n1
InChIInChI=1S/C12H22N4O/c1-7(2)12-15-10(13)5-11(16-12)14-9(4)8(3)6-17/h5,7-9,17H,6H2,1-4H3,(H3,13,14,15,16)
InChIKeySLIYTCQPKHWXPW-UHFFFAOYSA-N
XLogP1.61
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 113240528
4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955801
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 80955755
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
CID 80966926
4-N-[4-(dimethylamino)butan-2-yl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960568
4-N-[1-(diethylamino)propan-2-yl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957518
methyl 2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylbutanoate
CID 80961310
4-N-(3-methylpentan-2-yl)pyrimidine-2,4,6-triamine
CID 80804259
3-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106163695
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106280606
1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]pentan-3-ol
CID 113498157
2-propan-2-yl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80957246

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The IUPAC name of 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol (CID 113484576) is 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol is CC(C)c1nc(N)cc(NC(C)C(C)CO)n1.
What is the InChIKey of 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The InChIKey is SLIYTCQPKHWXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-7(2)12-15-10(13)5-11(16-12)14-9(4)8(3)6-17/h5,7-9,17H,6H2,1-4H3,(H3,13,14,15,16).
What are the key properties of 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol?
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 113484576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).