2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-propylacetamide

C14H25N5O — CID 80986192

IUPAC2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nc(CCC)nc(N)c1C
InChIInChI=1S/C14H25N5O/c1-5-7-11-17-13(15)10(3)14(18-11)19(4)9-12(20)16-8-6-2/h5-9H2,1-4H3,(H,16,20)(H2,15,17,18)
InChIKeyFMZGYGXCWPYYNL-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.28
Rot. Bonds7

About 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-propylacetamide

2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-propylacetamide (PubChem CID 80986192) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-propylacetamide
PubChem CID80986192
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nc(CCC)nc(N)c1C
InChIInChI=1S/C14H25N5O/c1-5-7-11-17-13(15)10(3)14(18-11)19(4)9-12(20)16-8-6-2/h5-9H2,1-4H3,(H,16,20)(H2,15,17,18)
InChIKeyFMZGYGXCWPYYNL-UHFFFAOYSA-N
XLogP1.28
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 80987749
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80808785
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
CID 80983230
N-ethyl-2-[methyl-[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80987499
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80982333
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-propylacetamide
CID 81132684
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide
CID 80970815
2-[(6-amino-3,5-difluoro-2-pyridinyl)-methylamino]-N-propylacetamide
CID 114074255
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 80987636
2-[(3-aminoquinoxalin-2-yl)-methylamino]-N-propylacetamide
CID 102985844
2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80995125
3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-2-methylpropanenitrile
CID 80983288

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-propylacetamide (CID 80986192) is 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)c1nc(CCC)nc(N)c1C.
What is the InChIKey of 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-propylacetamide?
The InChIKey is FMZGYGXCWPYYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-5-7-11-17-13(15)10(3)14(18-11)19(4)9-12(20)16-8-6-2/h5-9H2,1-4H3,(H,16,20)(H2,15,17,18).
What are the key properties of 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-propylacetamide?
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-propylacetamide has a molecular weight of 279.39 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-propylacetamide is sourced from PubChem (CID 80986192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).