2-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]-propylamino]ethanol

C16H30N4O — CID 80987908

IUPAC2-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]-propylamino]ethanol
SMILESCCCNc1nc(CCC)nc(N(CCC)CCO)c1C
InChIInChI=1S/C16H30N4O/c1-5-8-14-18-15(17-9-6-2)13(4)16(19-14)20(10-7-3)11-12-21/h21H,5-12H2,1-4H3,(H,17,18,19)
InChIKeyQUIJDLBNNJXMBE-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.77
Rot. Bonds10

About 2-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]-propylamino]ethanol

2-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]-propylamino]ethanol (PubChem CID 80987908) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]-propylamino]ethanol.

Molecular Properties

Compound Name2-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]-propylamino]ethanol
PubChem CID80987908
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]-propylamino]ethanol
SMILESCCCNc1nc(CCC)nc(N(CCC)CCO)c1C
InChIInChI=1S/C16H30N4O/c1-5-8-14-18-15(17-9-6-2)13(4)16(19-14)20(10-7-3)11-12-21/h21H,5-12H2,1-4H3,(H,17,18,19)
InChIKeyQUIJDLBNNJXMBE-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]-propylamino]ethanol with MolForge

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Related Compounds

4-N,2-diethyl-5-methyl-4-N,6-N-dipropylpyrimidine-4,6-diamine
CID 80993958
4-N,5-dimethyl-4-N-(3-methylbutyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80987790
4-N-[2-(dimethylamino)ethyl]-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80980867
4-N,5-dimethyl-4-N-pentan-2-yl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80986626
2-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]oxyethanol
CID 80989648
2-methyl-3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol
CID 80992097
4-N,6-N-diethyl-5-methyl-4-N-(2-methylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80993891
4-N,2-diethyl-5-methyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80983476
3-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propan-1-ol
CID 80981891
6-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]hexan-1-ol
CID 107855275
methyl 3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80986480
4-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
CID 106842928

Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]-propylamino]ethanol?
The IUPAC name of 2-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]-propylamino]ethanol (CID 80987908) is 2-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]-propylamino]ethanol.
What is the SMILES notation for 2-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]-propylamino]ethanol?
The canonical SMILES for 2-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]-propylamino]ethanol is CCCNc1nc(CCC)nc(N(CCC)CCO)c1C.
What is the InChIKey of 2-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]-propylamino]ethanol?
The InChIKey is QUIJDLBNNJXMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-5-8-14-18-15(17-9-6-2)13(4)16(19-14)20(10-7-3)11-12-21/h21H,5-12H2,1-4H3,(H,17,18,19).
What are the key properties of 2-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]-propylamino]ethanol?
2-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]-propylamino]ethanol has a molecular weight of 294.44 g/mol, XLogP of 2.77, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]-propylamino]ethanol is sourced from PubChem (CID 80987908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).