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

C10H18N4O — CID 80966926

IUPAC3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
SMILESCC(C)c1nc(N)cc(NCCCO)n1
InChIInChI=1S/C10H18N4O/c1-7(2)10-13-8(11)6-9(14-10)12-4-3-5-15/h6-7,15H,3-5H2,1-2H3,(H3,11,12,13,14)
InChIKeyUJNIHKBPSDTCRY-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.98
Rot. Bonds5

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

3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol (PubChem CID 80966926) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
PubChem CID80966926
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol
SMILESCC(C)c1nc(N)cc(NCCCO)n1
InChIInChI=1S/C10H18N4O/c1-7(2)10-13-8(11)6-9(14-10)12-4-3-5-15/h6-7,15H,3-5H2,1-2H3,(H3,11,12,13,14)
InChIKeyUJNIHKBPSDTCRY-UHFFFAOYSA-N
XLogP0.98
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 80955755
4-N-decyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80960186
3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80966847
N-[3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 106332318
1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]pentan-3-ol
CID 113498157
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
3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80954273
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 113484576
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106280606
5-[(6-amino-2-ethylpyrimidin-4-yl)amino]pentan-1-ol
CID 107302539
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol (CID 80966926) is 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol is CC(C)c1nc(N)cc(NCCCO)n1.
What is the InChIKey of 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is UJNIHKBPSDTCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(2)10-13-8(11)6-9(14-10)12-4-3-5-15/h6-7,15H,3-5H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol?
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 210.28 g/mol, XLogP of 0.98, 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]propan-1-ol is sourced from PubChem (CID 80966926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).