2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-N-propylacetamide

C10H16BrN5O — CID 80787327

IUPAC2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc(NC)ncc1Br
InChIInChI=1S/C10H16BrN5O/c1-3-4-13-8(17)6-14-9-7(11)5-15-10(12-2)16-9/h5H,3-4,6H2,1-2H3,(H,13,17)(H2,12,14,15,16)
InChIKeyLQHNGZOWZPYBNQ-UHFFFAOYSA-N
MW302.18 g/mol
LogP1.22
Rot. Bonds6

About 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-N-propylacetamide

2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-N-propylacetamide (PubChem CID 80787327) has the molecular formula C10H16BrN5O and a molecular weight of 302.18 g/mol. Its IUPAC name is 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-N-propylacetamide
PubChem CID80787327
Molecular FormulaC10H16BrN5O
Molecular Weight302.18 g/mol
Exact Mass301.05
IUPAC Name2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc(NC)ncc1Br
InChIInChI=1S/C10H16BrN5O/c1-3-4-13-8(17)6-14-9-7(11)5-15-10(12-2)16-9/h5H,3-4,6H2,1-2H3,(H,13,17)(H2,12,14,15,16)
InChIKeyLQHNGZOWZPYBNQ-UHFFFAOYSA-N
XLogP1.22
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-bromopyrimidin-2-yl)amino]-N-propylacetamide
CID 63872824
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80766138
3-[2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
CID 83117722
5-bromo-4-N-decyl-2-N-methylpyrimidine-2,4-diamine
CID 80854822
5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80769891
3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80771885
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-propylacetamide
CID 113420397
2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-N-propylacetamide
CID 79075450
3-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280543
5-bromo-4-N-(4-methoxybutyl)-2-N-methylpyrimidine-2,4-diamine
CID 80813067
2-[[5-bromo-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 80843445
2-[(3-chloro-2-pyridinyl)amino]-N-propylacetamide
CID 43402545

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-N-propylacetamide?
The IUPAC name of 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-N-propylacetamide (CID 80787327) is 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-N-propylacetamide is CCCNC(=O)CNc1nc(NC)ncc1Br.
What is the InChIKey of 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-N-propylacetamide?
The InChIKey is LQHNGZOWZPYBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN5O/c1-3-4-13-8(17)6-14-9-7(11)5-15-10(12-2)16-9/h5H,3-4,6H2,1-2H3,(H,13,17)(H2,12,14,15,16).
What are the key properties of 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-N-propylacetamide?
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-N-propylacetamide has a molecular weight of 302.18 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-N-propylacetamide is sourced from PubChem (CID 80787327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).