2-cyclopropyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol

C12H19N3O — CID 138041041

IUPAC2-cyclopropyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol
SMILESCc1cc(C)nc(NCC(C)(O)C2CC2)n1
InChIInChI=1S/C12H19N3O/c1-8-6-9(2)15-11(14-8)13-7-12(3,16)10-4-5-10/h6,10,16H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyOBFISNFMRWFTRR-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.67
Rot. Bonds4

About 2-cyclopropyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol

2-cyclopropyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol (PubChem CID 138041041) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-cyclopropyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol
PubChem CID138041041
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-cyclopropyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol
SMILESCc1cc(C)nc(NCC(C)(O)C2CC2)n1
InChIInChI=1S/C12H19N3O/c1-8-6-9(2)15-11(14-8)13-7-12(3,16)10-4-5-10/h6,10,16H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyOBFISNFMRWFTRR-UHFFFAOYSA-N
XLogP1.67
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol?
The IUPAC name of 2-cyclopropyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol (CID 138041041) is 2-cyclopropyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol.
What is the SMILES notation for 2-cyclopropyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol?
The canonical SMILES for 2-cyclopropyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol is Cc1cc(C)nc(NCC(C)(O)C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol?
The InChIKey is OBFISNFMRWFTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-6-9(2)15-11(14-8)13-7-12(3,16)10-4-5-10/h6,10,16H,4-5,7H2,1-3H3,(H,13,14,15).
What are the key properties of 2-cyclopropyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol?
2-cyclopropyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol has a molecular weight of 221.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(4,6-dimethylpyrimidin-2-yl)amino]propan-2-ol is sourced from PubChem (CID 138041041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).