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

C11H18N4O — CID 80830309

IUPAC1-cyclopropyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
SMILESCNc1ncnc(NCC(O)C2CC2)c1C
InChIInChI=1S/C11H18N4O/c1-7-10(12-2)14-6-15-11(7)13-5-9(16)8-3-4-8/h6,8-9,16H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyPPTGQLHXNBMQPK-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.01
Rot. Bonds5

About 1-cyclopropyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol

1-cyclopropyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol (PubChem CID 80830309) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
PubChem CID80830309
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-cyclopropyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
SMILESCNc1ncnc(NCC(O)C2CC2)c1C
InChIInChI=1S/C11H18N4O/c1-7-10(12-2)14-6-15-11(7)13-5-9(16)8-3-4-8/h6,8-9,16H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyPPTGQLHXNBMQPK-UHFFFAOYSA-N
XLogP1.01
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol with MolForge

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Related Compounds

2-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-1-cyclopropylethanol
CID 80829528
4-N-(cyclobutylmethyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80783503
2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-1-cyclopropylethanol
CID 63297547
2-[(6-amino-5-nitropyrimidin-4-yl)amino]-1-cyclopropylethanol
CID 80829831
(1S)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-1-(oxan-4-yl)ethanol
CID 100612013
1-cyclopropyl-2-[(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 81006562
6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
CID 80831901
1-cyclopropyl-2-[(3-propan-2-yloxypyrazin-2-yl)amino]ethanol
CID 133443246
(1S)-1-cyclopentyl-2-(pyrido[2,3-d]pyrimidin-4-ylamino)ethanol
CID 97326266
N-(2-chloro-2-cyclopropylethyl)-6-methoxy-5-methylpyrimidin-4-amine
CID 66326139
2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]-1-cyclopropylethanol
CID 80984904
5-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 80836952

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol (CID 80830309) is 1-cyclopropyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol is CNc1ncnc(NCC(O)C2CC2)c1C.
What is the InChIKey of 1-cyclopropyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol?
The InChIKey is PPTGQLHXNBMQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-10(12-2)14-6-15-11(7)13-5-9(16)8-3-4-8/h6,8-9,16H,3-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 1-cyclopropyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol?
1-cyclopropyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol has a molecular weight of 222.29 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 80830309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).