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

C14H24N4O — CID 80658050

IUPAC2-[cyclopropyl-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]amino]ethanol
SMILESCCCNc1cc(C)nc(CN(CCO)C2CC2)n1
InChIInChI=1S/C14H24N4O/c1-3-6-15-13-9-11(2)16-14(17-13)10-18(7-8-19)12-4-5-12/h9,12,19H,3-8,10H2,1-2H3,(H,15,16,17)
InChIKeyQLCQSMVKBYGYPO-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.56
Rot. Bonds8

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

2-[cyclopropyl-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]amino]ethanol (PubChem CID 80658050) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[cyclopropyl-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]amino]ethanol
PubChem CID80658050
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[cyclopropyl-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]amino]ethanol
SMILESCCCNc1cc(C)nc(CN(CCO)C2CC2)n1
InChIInChI=1S/C14H24N4O/c1-3-6-15-13-9-11(2)16-14(17-13)10-18(7-8-19)12-4-5-12/h9,12,19H,3-8,10H2,1-2H3,(H,15,16,17)
InChIKeyQLCQSMVKBYGYPO-UHFFFAOYSA-N
XLogP1.56
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclobutyl-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]amino]ethanol
CID 102870654
2-[[cyclopropylmethyl(propyl)amino]methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80657938
6-methyl-2-[[methyl(propyl)amino]methyl]-N-propylpyrimidin-4-amine
CID 80657528
6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
6-methyl-2-[[methyl(pentan-3-yl)amino]methyl]-N-propylpyrimidin-4-amine
CID 80657535
2-[[2-methoxyethyl(methyl)amino]methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80657360
2-[[cyclopentyl(ethyl)amino]methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657640
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80656846
2-[cyclopropyl-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol
CID 79772514
2-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl-propylamino]ethanol
CID 80658221
2-[cyclopentyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80809845
2-[[cyclopentyl(methyl)amino]methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80658200

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]amino]ethanol?
The IUPAC name of 2-[cyclopropyl-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]amino]ethanol (CID 80658050) is 2-[cyclopropyl-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]amino]ethanol is CCCNc1cc(C)nc(CN(CCO)C2CC2)n1.
What is the InChIKey of 2-[cyclopropyl-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]amino]ethanol?
The InChIKey is QLCQSMVKBYGYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-6-15-13-9-11(2)16-14(17-13)10-18(7-8-19)12-4-5-12/h9,12,19H,3-8,10H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[cyclopropyl-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]amino]ethanol?
2-[cyclopropyl-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]amino]ethanol has a molecular weight of 264.37 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]amino]ethanol is sourced from PubChem (CID 80658050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).