3-[propan-2-yl-[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol

C16H30N4O — CID 80788107

IUPAC3-[propan-2-yl-[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCCCNc1ncnc(N(CCCO)C(C)C)c1CCC
InChIInChI=1S/C16H30N4O/c1-5-8-14-15(17-9-6-2)18-12-19-16(14)20(13(3)4)10-7-11-21/h12-13,21H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyADGSXAGLFVGMIM-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.85
Rot. Bonds10

About 3-[propan-2-yl-[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol

3-[propan-2-yl-[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 80788107) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-[propan-2-yl-[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[propan-2-yl-[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
PubChem CID80788107
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name3-[propan-2-yl-[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
SMILESCCCNc1ncnc(N(CCCO)C(C)C)c1CCC
InChIInChI=1S/C16H30N4O/c1-5-8-14-15(17-9-6-2)18-12-19-16(14)20(13(3)4)10-7-11-21/h12-13,21H,5-11H2,1-4H3,(H,17,18,19)
InChIKeyADGSXAGLFVGMIM-UHFFFAOYSA-N
XLogP2.85
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[propan-2-yl-[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol with MolForge

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Related Compounds

3-[(6-chloro-5-ethylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 63729486
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80810049
3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]propan-1-ol
CID 80811547
5-ethyl-6-N-methyl-4-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80810727
4-N-(2-methoxyethyl)-5-methyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 82952827
4-N-(1-cyclopropylethyl)-4-N-methyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80792671
3-[(6-ethyl-5-fluoropyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 114045771
2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 113426535
(2S)-3-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80848746
3-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 80840015
3-[(6-amino-5-methylpyrimidin-4-yl)-propan-2-ylamino]propan-1-ol
CID 80811427
2-[2,2-difluoroethyl-[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]ethanol
CID 107495178

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl-[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[propan-2-yl-[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol (CID 80788107) is 3-[propan-2-yl-[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[propan-2-yl-[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[propan-2-yl-[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol is CCCNc1ncnc(N(CCCO)C(C)C)c1CCC.
What is the InChIKey of 3-[propan-2-yl-[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is ADGSXAGLFVGMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-5-8-14-15(17-9-6-2)18-12-19-16(14)20(13(3)4)10-7-11-21/h12-13,21H,5-11H2,1-4H3,(H,17,18,19).
What are the key properties of 3-[propan-2-yl-[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol?
3-[propan-2-yl-[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 294.44 g/mol, XLogP of 2.85, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl-[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 80788107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).