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

C10H18N4O — CID 80954273

IUPAC3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol
SMILESCCCc1nc(N)cc(NCCCO)n1
InChIInChI=1S/C10H18N4O/c1-2-4-9-13-8(11)7-10(14-9)12-5-3-6-15/h7,15H,2-6H2,1H3,(H3,11,12,13,14)
InChIKeyGTPYAHLSIGDVOU-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.81
Rot. Bonds6

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

3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol (PubChem CID 80954273) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol
PubChem CID80954273
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol
SMILESCCCc1nc(N)cc(NCCCO)n1
InChIInChI=1S/C10H18N4O/c1-2-4-9-13-8(11)7-10(14-9)12-5-3-6-15/h7,15H,2-6H2,1H3,(H3,11,12,13,14)
InChIKeyGTPYAHLSIGDVOU-UHFFFAOYSA-N
XLogP0.81
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.81
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

4-N-decyl-2-propylpyrimidine-4,6-diamine
CID 80943780
5-[(6-amino-2-ethylpyrimidin-4-yl)amino]pentan-1-ol
CID 107302539
4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,6-diamine
CID 80946334
2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea
CID 83118298
4-N-(3-cyclopentylpropyl)-2-propylpyrimidine-4,6-diamine
CID 106014934
3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80954256
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336
2-ethyl-4-N-octylpyrimidine-4,6-diamine
CID 113336788
2-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106343133
[1-[[(6-amino-2-propylpyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
CID 115457185
4-N-butyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80946225
1-[(6-amino-2-propylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169930

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol (CID 80954273) is 3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol is CCCc1nc(N)cc(NCCCO)n1.
What is the InChIKey of 3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is GTPYAHLSIGDVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-2-4-9-13-8(11)7-10(14-9)12-5-3-6-15/h7,15H,2-6H2,1H3,(H3,11,12,13,14).
What are the key properties of 3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol?
3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 210.28 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 80954273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).