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

C13H21N5O — CID 80967928

IUPAC2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCCNc1cc(NC(C)C(N)=O)nc(C2CC2)n1
InChIInChI=1S/C13H21N5O/c1-3-6-15-10-7-11(16-8(2)12(14)19)18-13(17-10)9-4-5-9/h7-9H,3-6H2,1-2H3,(H2,14,19)(H2,15,16,17,18)
InChIKeyWCOQQHPLFKXOOQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.46
Rot. Bonds7

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

2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide (PubChem CID 80967928) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
PubChem CID80967928
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCCNc1cc(NC(C)C(N)=O)nc(C2CC2)n1
InChIInChI=1S/C13H21N5O/c1-3-6-15-10-7-11(16-8(2)12(14)19)18-13(17-10)9-4-5-9/h7-9H,3-6H2,1-2H3,(H2,14,19)(H2,15,16,17,18)
InChIKeyWCOQQHPLFKXOOQ-UHFFFAOYSA-N
XLogP1.46
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80967066
2-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80967067
2-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 106770807
3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280526
2-cyclopropyl-4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80968154
2-cyclopropyl-4-N-(3-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80960990
2-cyclopropyl-4-N-(1-cyclopropylpropan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80959925
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
methyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80961991
3-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366436
2-cyclopropyl-4-N-(3-ethylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80959196
3-[[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80959366

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of 2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide (CID 80967928) is 2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for 2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for 2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide is CCCNc1cc(NC(C)C(N)=O)nc(C2CC2)n1.
What is the InChIKey of 2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide?
The InChIKey is WCOQQHPLFKXOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-6-15-10-7-11(16-8(2)12(14)19)18-13(17-10)9-4-5-9/h7-9H,3-6H2,1-2H3,(H2,14,19)(H2,15,16,17,18).
What are the key properties of 2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide?
2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide has a molecular weight of 263.34 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 80967928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).