2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide

C14H23N5O — CID 80986210

IUPAC2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1nc(C2CC2)nc(N)c1C
InChIInChI=1S/C14H23N5O/c1-4-7-16-14(20)9(3)17-12-8(2)11(15)18-13(19-12)10-5-6-10/h9-10H,4-7H2,1-3H3,(H,16,20)(H3,15,17,18,19)
InChIKeyQWFVPFODZJBODS-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.57
Rot. Bonds6

About 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide

2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide (PubChem CID 80986210) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide
PubChem CID80986210
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1nc(C2CC2)nc(N)c1C
InChIInChI=1S/C14H23N5O/c1-4-7-16-14(20)9(3)17-12-8(2)11(15)18-13(19-12)10-5-6-10/h9-10H,4-7H2,1-3H3,(H,16,20)(H3,15,17,18,19)
InChIKeyQWFVPFODZJBODS-UHFFFAOYSA-N
XLogP1.57
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80986199
4-N-(1-cyclopentylethyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80983559
2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80800536
2-cyclopropyl-5-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine
CID 80984662
2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80896950
2-cyclopropyl-5-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80985188
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-propylpropanamide
CID 114049769
2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80995125
2-cyclopropyl-4-N-(2-methoxypropyl)-5-methylpyrimidine-4,6-diamine
CID 102701899
2-cyclopropyl-5-methyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80980633
2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80967928
2-cyclopropyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80985077

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide (CID 80986210) is 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1nc(C2CC2)nc(N)c1C.
What is the InChIKey of 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide?
The InChIKey is QWFVPFODZJBODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-4-7-16-14(20)9(3)17-12-8(2)11(15)18-13(19-12)10-5-6-10/h9-10H,4-7H2,1-3H3,(H,16,20)(H3,15,17,18,19).
What are the key properties of 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide?
2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 80986210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).