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

C11H20N4O — CID 104557134

IUPAC2-[(6-amino-2-propylpyrimidin-4-yl)-methylamino]propan-1-ol
SMILESCCCc1nc(N)cc(N(C)C(C)CO)n1
InChIInChI=1S/C11H20N4O/c1-4-5-10-13-9(12)6-11(14-10)15(3)8(2)7-16/h6,8,16H,4-5,7H2,1-3H3,(H2,12,13,14)
InChIKeyUITCJXYJVKQPRE-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.83
Rot. Bonds5

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

2-[(6-amino-2-propylpyrimidin-4-yl)-methylamino]propan-1-ol (PubChem CID 104557134) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[(6-amino-2-propylpyrimidin-4-yl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(6-amino-2-propylpyrimidin-4-yl)-methylamino]propan-1-ol
PubChem CID104557134
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[(6-amino-2-propylpyrimidin-4-yl)-methylamino]propan-1-ol
SMILESCCCc1nc(N)cc(N(C)C(C)CO)n1
InChIInChI=1S/C11H20N4O/c1-4-5-10-13-9(12)6-11(14-10)15(3)8(2)7-16/h6,8,16H,4-5,7H2,1-3H3,(H2,12,13,14)
InChIKeyUITCJXYJVKQPRE-UHFFFAOYSA-N
XLogP0.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-2-(4-amino-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidin-2-ylamino)ethanol
CID 54585776
(R)-2-(2-amino-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidin-4-ylamino)ethanol
CID 54586765
2-(2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-ylamino)ethanol
CID 54587789
2-(4-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylamino)ethanol
CID 54585778
2-[(2-Amino-6-fluoropyrimidin-4-yl)amino]ethanol
CID 3776070
(3R)-1-[6-amino-2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 50978922
(2S)-2-[4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol
CID 97245516
2-[[6-[2-[(2R)-1-methylpiperidin-2-yl]ethylamino]pyrimidin-4-yl]amino]ethanol
CID 171359600
2-[[6-[(3S)-3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 171359940
1-[(6-Aminopyrimidin-4-yl)amino]-3-fluorobutan-2-ol
CID 156103543
2-Methyl-6-morpholinopyrimidin-4-amine
CID 32800029
N4,N4-diethyl-2-methylpyrimidine-4,6-diamine
CID 57108286

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-propylpyrimidin-4-yl)-methylamino]propan-1-ol?
The IUPAC name of 2-[(6-amino-2-propylpyrimidin-4-yl)-methylamino]propan-1-ol (CID 104557134) is 2-[(6-amino-2-propylpyrimidin-4-yl)-methylamino]propan-1-ol.
What is the SMILES notation for 2-[(6-amino-2-propylpyrimidin-4-yl)-methylamino]propan-1-ol?
The canonical SMILES for 2-[(6-amino-2-propylpyrimidin-4-yl)-methylamino]propan-1-ol is CCCc1nc(N)cc(N(C)C(C)CO)n1.
What is the InChIKey of 2-[(6-amino-2-propylpyrimidin-4-yl)-methylamino]propan-1-ol?
The InChIKey is UITCJXYJVKQPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-5-10-13-9(12)6-11(14-10)15(3)8(2)7-16/h6,8,16H,4-5,7H2,1-3H3,(H2,12,13,14).
What are the key properties of 2-[(6-amino-2-propylpyrimidin-4-yl)-methylamino]propan-1-ol?
2-[(6-amino-2-propylpyrimidin-4-yl)-methylamino]propan-1-ol has a molecular weight of 224.31 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-propylpyrimidin-4-yl)-methylamino]propan-1-ol is sourced from PubChem (CID 104557134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).