1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]propan-2-amine

C13H21N3O2 — CID 63987229

IUPAC1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]propan-2-amine
SMILESCOc1ncnc(OC)c1CNC(C)CC1CC1
InChIInChI=1S/C13H21N3O2/c1-9(6-10-4-5-10)14-7-11-12(17-2)15-8-16-13(11)18-3/h8-10,14H,4-7H2,1-3H3
InChIKeyBMPYHOQKAGCQED-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.77
Rot. Bonds7

About 1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]propan-2-amine

1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]propan-2-amine (PubChem CID 63987229) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]propan-2-amine
PubChem CID63987229
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]propan-2-amine
SMILESCOc1ncnc(OC)c1CNC(C)CC1CC1
InChIInChI=1S/C13H21N3O2/c1-9(6-10-4-5-10)14-7-11-12(17-2)15-8-16-13(11)18-3/h8-10,14H,4-7H2,1-3H3
InChIKeyBMPYHOQKAGCQED-UHFFFAOYSA-N
XLogP1.77
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]propan-2-amine?
The IUPAC name of 1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]propan-2-amine (CID 63987229) is 1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]propan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]propan-2-amine is COc1ncnc(OC)c1CNC(C)CC1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]propan-2-amine?
The InChIKey is BMPYHOQKAGCQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(6-10-4-5-10)14-7-11-12(17-2)15-8-16-13(11)18-3/h8-10,14H,4-7H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]propan-2-amine?
1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]propan-2-amine has a molecular weight of 251.33 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 63987229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).