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

C14H25N5O — CID 80954543

IUPAC3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-butan-2-ylpropanamide
SMILESCCCc1nc(N)cc(NCCC(=O)NC(C)CC)n1
InChIInChI=1S/C14H25N5O/c1-4-6-12-18-11(15)9-13(19-12)16-8-7-14(20)17-10(3)5-2/h9-10H,4-8H2,1-3H3,(H,17,20)(H3,15,16,18,19)
InChIKeyGLBIDVNVOXRNGQ-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.73
Rot. Bonds8

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

3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-butan-2-ylpropanamide (PubChem CID 80954543) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-butan-2-ylpropanamide
PubChem CID80954543
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-butan-2-ylpropanamide
SMILESCCCc1nc(N)cc(NCCC(=O)NC(C)CC)n1
InChIInChI=1S/C14H25N5O/c1-4-6-12-18-11(15)9-13(19-12)16-8-7-14(20)17-10(3)5-2/h9-10H,4-8H2,1-3H3,(H,17,20)(H3,15,16,18,19)
InChIKeyGLBIDVNVOXRNGQ-UHFFFAOYSA-N
XLogP1.73
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80954256
2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea
CID 83118298
3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80954273
N-butan-2-yl-3-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]propanamide
CID 114767532
4-N-decyl-2-propylpyrimidine-4,6-diamine
CID 80943780
N-butan-2-yl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
CID 136974382
methyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
CID 80955368
ethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
CID 80954453
2-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106343133
6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 62238876
N-butan-2-yl-3-(pyrazin-2-ylamino)propanamide
CID 60964838
4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,6-diamine
CID 80946334

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-butan-2-ylpropanamide?
The IUPAC name of 3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-butan-2-ylpropanamide (CID 80954543) is 3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-butan-2-ylpropanamide?
The canonical SMILES for 3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-butan-2-ylpropanamide is CCCc1nc(N)cc(NCCC(=O)NC(C)CC)n1.
What is the InChIKey of 3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-butan-2-ylpropanamide?
The InChIKey is GLBIDVNVOXRNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-6-12-18-11(15)9-13(19-12)16-8-7-14(20)17-10(3)5-2/h9-10H,4-8H2,1-3H3,(H,17,20)(H3,15,16,18,19).
What are the key properties of 3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-butan-2-ylpropanamide?
3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-butan-2-ylpropanamide has a molecular weight of 279.39 g/mol, XLogP of 1.73, 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-butan-2-ylpropanamide is sourced from PubChem (CID 80954543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).