3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-propylpropanamide

C13H23N5O — CID 80954256

IUPAC3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1cc(N)nc(CCC)n1
InChIInChI=1S/C13H23N5O/c1-3-5-11-17-10(14)9-12(18-11)15-8-6-13(19)16-7-4-2/h9H,3-8H2,1-2H3,(H,16,19)(H3,14,15,17,18)
InChIKeyYCRWCJDAIQIQIE-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.34
Rot. Bonds8

About 3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-propylpropanamide

3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-propylpropanamide (PubChem CID 80954256) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-propylpropanamide
PubChem CID80954256
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1cc(N)nc(CCC)n1
InChIInChI=1S/C13H23N5O/c1-3-5-11-17-10(14)9-12(18-11)15-8-6-13(19)16-7-4-2/h9H,3-8H2,1-2H3,(H,16,19)(H3,14,15,17,18)
InChIKeyYCRWCJDAIQIQIE-UHFFFAOYSA-N
XLogP1.34
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-butan-2-ylpropanamide
CID 80954543
2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea
CID 83118298
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819032
N-propyl-2-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80942500
3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80954273
2-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106343133
4-N-decyl-2-propylpyrimidine-4,6-diamine
CID 80943780
methyl 3-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80954586
4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,6-diamine
CID 80946334
3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819138
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336
N-propyl-3-[[6-(propylamino)-2-pyridinyl]amino]propanamide
CID 80819033

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-propylpropanamide (CID 80954256) is 3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-propylpropanamide is CCCNC(=O)CCNc1cc(N)nc(CCC)n1.
What is the InChIKey of 3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-propylpropanamide?
The InChIKey is YCRWCJDAIQIQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-3-5-11-17-10(14)9-12(18-11)15-8-6-13(19)16-7-4-2/h9H,3-8H2,1-2H3,(H,16,19)(H3,14,15,17,18).
What are the key properties of 3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-propylpropanamide?
3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-propylpropanamide has a molecular weight of 265.36 g/mol, XLogP of 1.34, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 80954256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).