1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol

C11H18N4O — CID 80967408

IUPAC1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
SMILESCNc1cc(NCC(C)O)nc(C2CC2)n1
InChIInChI=1S/C11H18N4O/c1-7(16)6-13-10-5-9(12-2)14-11(15-10)8-3-4-8/h5,7-8,16H,3-4,6H2,1-2H3,(H2,12,13,14,15)
InChIKeySREYLLXSDCGRKP-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.19
Rot. Bonds5

About 1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol

1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol (PubChem CID 80967408) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
PubChem CID80967408
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
SMILESCNc1cc(NCC(C)O)nc(C2CC2)n1
InChIInChI=1S/C11H18N4O/c1-7(16)6-13-10-5-9(12-2)14-11(15-10)8-3-4-8/h5,7-8,16H,3-4,6H2,1-2H3,(H2,12,13,14,15)
InChIKeySREYLLXSDCGRKP-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol with MolForge

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Related Compounds

1-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80967240
1-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80933620
5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106163235
4-N-(cyclopentylmethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80967316
1-[[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80958761
3-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106280746
2-cyclopropyl-6-N-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80955816
2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80967067
2-cyclopropyl-4-N-[(2S)-1-methoxypropan-2-yl]-6-N-methylpyrimidine-4,6-diamine
CID 129380989
2-cyclopropyl-6-hydrazinyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80964832
2-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80967531
5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241630

Frequently Asked Questions

What is the IUPAC name of 1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of 1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol (CID 80967408) is 1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol is CNc1cc(NCC(C)O)nc(C2CC2)n1.
What is the InChIKey of 1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is SREYLLXSDCGRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7(16)6-13-10-5-9(12-2)14-11(15-10)8-3-4-8/h5,7-8,16H,3-4,6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol?
1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 222.29 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 80967408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).