2-[cyclopropyl-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol

C14H22N4O — CID 80983019

IUPAC2-[cyclopropyl-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
SMILESCNc1nc(C2CC2)nc(N(CCO)C2CC2)c1C
InChIInChI=1S/C14H22N4O/c1-9-12(15-2)16-13(10-3-4-10)17-14(9)18(7-8-19)11-5-6-11/h10-11,19H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyARZBOZRGPXCZTQ-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.67
Rot. Bonds6

About 2-[cyclopropyl-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol

2-[cyclopropyl-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol (PubChem CID 80983019) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
PubChem CID80983019
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[cyclopropyl-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
SMILESCNc1nc(C2CC2)nc(N(CCO)C2CC2)c1C
InChIInChI=1S/C14H22N4O/c1-9-12(15-2)16-13(10-3-4-10)17-14(9)18(7-8-19)11-5-6-11/h10-11,19H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyARZBOZRGPXCZTQ-UHFFFAOYSA-N
XLogP1.67
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopentyl-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80994741
2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80995526
3-[cyclobutyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 102875528
3-[cyclopropyl-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanenitrile
CID 80994835
4-N-butyl-2-cyclopropyl-4-N-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80976584
2-[cyanomethyl-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetonitrile
CID 80976424
2-[cyclohexyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810290
2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80993475
4-N-(cyclohexylmethyl)-2-cyclopropyl-4-N,6-N,5-trimethylpyrimidine-4,6-diamine
CID 80986033
2-[cyclobutyl-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]amino]ethanol
CID 102875765
2-cyclopropyl-4-N,6-N,5-trimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80982960
2-[[2-cyclopropyl-6-(ethylamino)-5-methylpyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80983153

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[cyclopropyl-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol (CID 80983019) is 2-[cyclopropyl-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol is CNc1nc(C2CC2)nc(N(CCO)C2CC2)c1C.
What is the InChIKey of 2-[cyclopropyl-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol?
The InChIKey is ARZBOZRGPXCZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-9-12(15-2)16-13(10-3-4-10)17-14(9)18(7-8-19)11-5-6-11/h10-11,19H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[cyclopropyl-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol?
2-[cyclopropyl-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol has a molecular weight of 262.36 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 80983019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).