2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol

C13H24N4O — CID 113426535

IUPAC2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
SMILESCCCNc1ncnc(N(C)C(C)CO)c1CC
InChIInChI=1S/C13H24N4O/c1-5-7-14-12-11(6-2)13(16-9-15-12)17(4)10(3)8-18/h9-10,18H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyHLXQZPCUDRIETD-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.68
Rot. Bonds7

About 2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol

2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol (PubChem CID 113426535) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
PubChem CID113426535
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
SMILESCCCNc1ncnc(N(C)C(C)CO)c1CC
InChIInChI=1S/C13H24N4O/c1-5-7-14-12-11(6-2)13(16-9-15-12)17(4)10(3)8-18/h9-10,18H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyHLXQZPCUDRIETD-UHFFFAOYSA-N
XLogP1.68
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol with MolForge

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Related Compounds

2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557148
4-N,5-dimethyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80792963
4-N,5-diethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80775397
6-N,5-diethyl-4-N-(1-methoxypropan-2-yl)-4-N-methylpyrimidine-4,6-diamine
CID 80809383
4-N-(1-cyclopropylethyl)-4-N-methyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80792671
5-ethyl-4-N,4-N-bis(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80778803
4-N-butan-2-yl-6-N-ethyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80775365
4-N-cyclopropyl-5-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80787176
5-ethyl-4-N-(2-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80833383
3-[propan-2-yl-[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80788107
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 104557000
6-N,5-diethyl-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 80764406

Frequently Asked Questions

What is the IUPAC name of 2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol?
The IUPAC name of 2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol (CID 113426535) is 2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol?
The canonical SMILES for 2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol is CCCNc1ncnc(N(C)C(C)CO)c1CC.
What is the InChIKey of 2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol?
The InChIKey is HLXQZPCUDRIETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-7-14-12-11(6-2)13(16-9-15-12)17(4)10(3)8-18/h9-10,18H,5-8H2,1-4H3,(H,14,15,16).
What are the key properties of 2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol?
2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol is sourced from PubChem (CID 113426535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).