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

C12H22N4O — CID 113498157

IUPAC1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]pentan-3-ol
SMILESCCC(O)CCNc1cc(N)nc(C(C)C)n1
InChIInChI=1S/C12H22N4O/c1-4-9(17)5-6-14-11-7-10(13)15-12(16-11)8(2)3/h7-9,17H,4-6H2,1-3H3,(H3,13,14,15,16)
InChIKeyMHQABJBRGWHZOE-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.76
Rot. Bonds6

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

1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]pentan-3-ol (PubChem CID 113498157) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]pentan-3-ol.

Molecular Properties

Compound Name1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]pentan-3-ol
PubChem CID113498157
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]pentan-3-ol
SMILESCCC(O)CCNc1cc(N)nc(C(C)C)n1
InChIInChI=1S/C12H22N4O/c1-4-9(17)5-6-14-11-7-10(13)15-12(16-11)8(2)3/h7-9,17H,4-6H2,1-3H3,(H3,13,14,15,16)
InChIKeyMHQABJBRGWHZOE-UHFFFAOYSA-N
XLogP1.76
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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-decyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960186
4-N-[2-(2-methoxyethoxy)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957424
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106343565
N-[3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 106332318
4-N-(3-methylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80956885
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106280606
6-hydrazinyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidin-4-amine
CID 80969046
3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80966847
4-N-[1-(diethylamino)propan-2-yl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957518
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 113484576

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]pentan-3-ol?
The IUPAC name of 1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]pentan-3-ol (CID 113498157) is 1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]pentan-3-ol.
What is the SMILES notation for 1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]pentan-3-ol?
The canonical SMILES for 1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]pentan-3-ol is CCC(O)CCNc1cc(N)nc(C(C)C)n1.
What is the InChIKey of 1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]pentan-3-ol?
The InChIKey is MHQABJBRGWHZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-9(17)5-6-14-11-7-10(13)15-12(16-11)8(2)3/h7-9,17H,4-6H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]pentan-3-ol?
1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]pentan-3-ol has a molecular weight of 238.33 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]pentan-3-ol is sourced from PubChem (CID 113498157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).