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

C13H24N4O — CID 80981937

IUPAC2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
SMILESCCCNc1nc(C(C)C)nc(NCCO)c1C
InChIInChI=1S/C13H24N4O/c1-5-6-14-12-10(4)13(15-7-8-18)17-11(16-12)9(2)3/h9,18H,5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyXNBVLYIDMSBNHF-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.13
Rot. Bonds7

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

2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol (PubChem CID 80981937) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
PubChem CID80981937
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
SMILESCCCNc1nc(C(C)C)nc(NCCO)c1C
InChIInChI=1S/C13H24N4O/c1-5-6-14-12-10(4)13(15-7-8-18)17-11(16-12)9(2)3/h9,18H,5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyXNBVLYIDMSBNHF-UHFFFAOYSA-N
XLogP2.13
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80980995
2-methyl-3-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80991979
(2S)-3-methyl-2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80992681
2-methyl-1-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 80981087
4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 104830615
methyl 3-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80986482
5-methyl-4-N-(3-methylsulfanylpropyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80984789
4-N-hexan-2-yl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80984973
4-N-(2-methoxy-2-methylpropyl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 104767285
4-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 106847086
4-N-(2,2-dimethylcyclopropyl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80982653
N-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81000479

Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol (CID 80981937) is 2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol is CCCNc1nc(C(C)C)nc(NCCO)c1C.
What is the InChIKey of 2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol?
The InChIKey is XNBVLYIDMSBNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-6-14-12-10(4)13(15-7-8-18)17-11(16-12)9(2)3/h9,18H,5-8H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol?
2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol has a molecular weight of 252.36 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 80981937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).