3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide

C14H25N5O — CID 80819690

IUPAC3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc(NCCC)ncc1C
InChIInChI=1S/C14H25N5O/c1-4-7-15-12(20)6-9-16-13-11(3)10-18-14(19-13)17-8-5-2/h10H,4-9H2,1-3H3,(H,15,20)(H2,16,17,18,19)
InChIKeyLPTWOFMLQNWDTR-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.94
Rot. Bonds9

About 3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide

3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide (PubChem CID 80819690) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
PubChem CID80819690
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc(NCCC)ncc1C
InChIInChI=1S/C14H25N5O/c1-4-7-15-12(20)6-9-16-13-11(3)10-18-14(19-13)17-8-5-2/h10H,4-9H2,1-3H3,(H,15,20)(H2,16,17,18,19)
InChIKeyLPTWOFMLQNWDTR-UHFFFAOYSA-N
XLogP1.94
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819584
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80818525
2,2-dimethyl-3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 106280601
ethyl 4-methyl-2-[[3-oxo-3-(propylamino)propyl]amino]pyrimidine-5-carboxylate
CID 83178473
1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 113493071
3-[(2,5-dichloropyrimidin-4-yl)amino]-N-propylpropanamide
CID 79632812
2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-N-propylacetamide
CID 79075450
3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819138
3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide
CID 80819257
5-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 102908907
5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80832239
4-methyl-1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 107159661

Frequently Asked Questions

What is the IUPAC name of 3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide?
The IUPAC name of 3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide (CID 80819690) is 3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide.
What is the SMILES notation for 3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide?
The canonical SMILES for 3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide is CCCNC(=O)CCNc1nc(NCCC)ncc1C.
What is the InChIKey of 3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide?
The InChIKey is LPTWOFMLQNWDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-7-15-12(20)6-9-16-13-11(3)10-18-14(19-13)17-8-5-2/h10H,4-9H2,1-3H3,(H,15,20)(H2,16,17,18,19).
What are the key properties of 3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide?
3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide has a molecular weight of 279.39 g/mol, XLogP of 1.94, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide is sourced from PubChem (CID 80819690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).