3-[(6-amino-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide

C11H19N5O — CID 80819686

IUPAC3-[(6-amino-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1ncnc(N)c1C
InChIInChI=1S/C11H19N5O/c1-3-5-13-9(17)4-6-14-11-8(2)10(12)15-7-16-11/h7H,3-6H2,1-2H3,(H,13,17)(H3,12,14,15,16)
InChIKeyDIKGNFWHARKIDI-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.70
Rot. Bonds6

About 3-[(6-amino-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide

3-[(6-amino-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide (PubChem CID 80819686) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-[(6-amino-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(6-amino-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide
PubChem CID80819686
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name3-[(6-amino-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1ncnc(N)c1C
InChIInChI=1S/C11H19N5O/c1-3-5-13-9(17)4-6-14-11-8(2)10(12)15-7-16-11/h7H,3-6H2,1-2H3,(H,13,17)(H3,12,14,15,16)
InChIKeyDIKGNFWHARKIDI-UHFFFAOYSA-N
XLogP0.70
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(6-amino-5-methylpyrimidin-4-yl)amino]propanoate
CID 80796856
3-[(3-amino-5-methyl-2-pyridinyl)amino]-N-propylpropanamide
CID 66281292
ethyl 3-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80816605
N-propyl-3-(7H-purin-6-ylamino)propanamide
CID 47299148
3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide
CID 103360319
3-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]-N-propylpropanamide
CID 114999049
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]propanamide
CID 80787743
3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819690
2-[[3-oxo-3-(propylamino)propyl]amino]pyridine-3-carboxamide
CID 61064041
3-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819584
5-methyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
CID 80831472
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819032

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(6-amino-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide (CID 80819686) is 3-[(6-amino-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(6-amino-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(6-amino-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide is CCCNC(=O)CCNc1ncnc(N)c1C.
What is the InChIKey of 3-[(6-amino-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide?
The InChIKey is DIKGNFWHARKIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-3-5-13-9(17)4-6-14-11-8(2)10(12)15-7-16-11/h7H,3-6H2,1-2H3,(H,13,17)(H3,12,14,15,16).
What are the key properties of 3-[(6-amino-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide?
3-[(6-amino-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide has a molecular weight of 237.31 g/mol, XLogP of 0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 80819686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).