3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide

C14H25N5O — CID 80819138

IUPAC3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1cc(C)nc(NCCC)n1
InChIInChI=1S/C14H25N5O/c1-4-7-16-13(20)6-9-15-12-10-11(3)18-14(19-12)17-8-5-2/h10H,4-9H2,1-3H3,(H,16,20)(H2,15,17,18,19)
InChIKeyQJNIAHUIQIBUNE-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.94
Rot. Bonds9

About 3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide

3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide (PubChem CID 80819138) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
PubChem CID80819138
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1cc(C)nc(NCCC)n1
InChIInChI=1S/C14H25N5O/c1-4-7-16-13(20)6-9-15-12-10-11(3)18-14(19-12)17-8-5-2/h10H,4-9H2,1-3H3,(H,16,20)(H2,15,17,18,19)
InChIKeyQJNIAHUIQIBUNE-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

N,N-dimethyl-3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80814000
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819032
N,N-dimethyl-2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80784037
3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide
CID 80819257
N-propyl-3-[[6-(propylamino)-2-pyridinyl]amino]propanamide
CID 80819033
6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 113480698
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanamide
CID 80787003
4-N-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80814127
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-octylbutanamide
CID 108787788
ethyl 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanoate
CID 80816143
3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 80814270
4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785

Frequently Asked Questions

What is the IUPAC name of 3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide?
The IUPAC name of 3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide (CID 80819138) is 3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide.
What is the SMILES notation for 3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide?
The canonical SMILES for 3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide is CCCNC(=O)CCNc1cc(C)nc(NCCC)n1.
What is the InChIKey of 3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide?
The InChIKey is QJNIAHUIQIBUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-7-16-13(20)6-9-15-12-10-11(3)18-14(19-12)17-8-5-2/h10H,4-9H2,1-3H3,(H,16,20)(H2,15,17,18,19).
What are the key properties of 3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide?
3-[[6-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-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide is sourced from PubChem (CID 80819138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).