3-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide

C13H21N5O — CID 106918467

IUPAC3-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1nc(C2CC2)nc(N)c1C
InChIInChI=1S/C13H21N5O/c1-8-11(14)16-12(9-4-5-9)17-13(8)18(3)7-6-10(19)15-2/h9H,4-7H2,1-3H3,(H,15,19)(H2,14,16,17)
InChIKeyCZOVQQBTFXSICK-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.82
Rot. Bonds5

About 3-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide

3-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide (PubChem CID 106918467) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
PubChem CID106918467
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name3-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1nc(C2CC2)nc(N)c1C
InChIInChI=1S/C13H21N5O/c1-8-11(14)16-12(9-4-5-9)17-13(8)18(3)7-6-10(19)15-2/h9H,4-7H2,1-3H3,(H,15,19)(H2,14,16,17)
InChIKeyCZOVQQBTFXSICK-UHFFFAOYSA-N
XLogP0.82
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide (CID 106918467) is 3-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1nc(C2CC2)nc(N)c1C.
What is the InChIKey of 3-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The InChIKey is CZOVQQBTFXSICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-8-11(14)16-12(9-4-5-9)17-13(8)18(3)7-6-10(19)15-2/h9H,4-7H2,1-3H3,(H,15,19)(H2,14,16,17).
What are the key properties of 3-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide?
3-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide has a molecular weight of 263.34 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106918467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).