3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide

C12H21N5O — CID 80933122

IUPAC3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCCNc1cc(NCCC(N)=O)nc(CC)n1
InChIInChI=1S/C12H21N5O/c1-3-6-14-11-8-12(15-7-5-9(13)18)17-10(4-2)16-11/h8H,3-7H2,1-2H3,(H2,13,18)(H2,14,15,16,17)
InChIKeyFVSVZVLEZQVDGS-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.15
Rot. Bonds8

About 3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide

3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide (PubChem CID 80933122) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
PubChem CID80933122
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCCNc1cc(NCCC(N)=O)nc(CC)n1
InChIInChI=1S/C12H21N5O/c1-3-6-14-11-8-12(15-7-5-9(13)18)17-10(4-2)16-11/h8H,3-7H2,1-2H3,(H2,13,18)(H2,14,15,16,17)
InChIKeyFVSVZVLEZQVDGS-UHFFFAOYSA-N
XLogP1.15
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80933202
3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide
CID 80936690
4-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butanamide
CID 80933799
2-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropanamide
CID 80934886
4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide
CID 80790862
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butanamide
CID 80936075
2-[2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106242008
5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241607
2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]ethylurea
CID 83117256
2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethylurea
CID 83118223
methyl 3-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80954586
2-[2-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide
CID 106241892

Frequently Asked Questions

What is the IUPAC name of 3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of 3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide (CID 80933122) is 3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for 3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for 3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide is CCCNc1cc(NCCC(N)=O)nc(CC)n1.
What is the InChIKey of 3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide?
The InChIKey is FVSVZVLEZQVDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-6-14-11-8-12(15-7-5-9(13)18)17-10(4-2)16-11/h8H,3-7H2,1-2H3,(H2,13,18)(H2,14,15,16,17).
What are the key properties of 3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide?
3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide has a molecular weight of 251.33 g/mol, XLogP of 1.15, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 80933122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).