2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide

C10H16BrN5O — CID 80805687

IUPAC2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide
SMILESCNc1ncc(Br)c(N(CC(N)=O)C(C)C)n1
InChIInChI=1S/C10H16BrN5O/c1-6(2)16(5-8(12)17)9-7(11)4-14-10(13-3)15-9/h4,6H,5H2,1-3H3,(H2,12,17)(H,13,14,15)
InChIKeyOTDJTWMOVVACBN-UHFFFAOYSA-N
MW302.18 g/mol
LogP0.98
Rot. Bonds5

About 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide

2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide (PubChem CID 80805687) 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]-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide
PubChem CID80805687
Molecular FormulaC10H16BrN5O
Molecular Weight302.18 g/mol
Exact Mass301.05
IUPAC Name2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide
SMILESCNc1ncc(Br)c(N(CC(N)=O)C(C)C)n1
InChIInChI=1S/C10H16BrN5O/c1-6(2)16(5-8(12)17)9-7(11)4-14-10(13-3)15-9/h4,6H,5H2,1-3H3,(H2,12,17)(H,13,14,15)
InChIKeyOTDJTWMOVVACBN-UHFFFAOYSA-N
XLogP0.98
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N,N-dimethylpyrimidine-2-carboxamide
CID 59559990
2-[4-(5-Bromopyrimidin-2-yl)piperazin-1-yl]propanamide
CID 47279788
2-[4-[[4-(Ethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]acetamide
CID 50963047
1,3-Dimethyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-2-one
CID 56702941
2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylacetamide
CID 75370271
1-[4-[(5-Bromopyrimidin-2-yl)amino]piperidin-1-yl]butan-1-one
CID 75370282
2-[4-(5-Methylpyrimidin-2-yl)piperazin-1-yl]propanamide
CID 75433516
N,N~2~-diethyl-N~2~-(2-methylpyrimidin-4-yl)glycinamide
CID 71974232
4-(5-bromopyrimidin-2-yl)-N-butylpiperazine-1-carboxamide
CID 2802473
4-(5-bromopyrimidin-2-yl)-N-cyclopropylpiperazine-1-carboxamide
CID 47238234
3-[4-(5-Bromopyrimidin-2-yl)piperazin-1-yl]propanamide
CID 47278275
N-(tert-butyl)-2-{[4-(ethylamino)pyrimidin-2-yl]amino}acetamide
CID 50959033

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide (CID 80805687) is 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide is CNc1ncc(Br)c(N(CC(N)=O)C(C)C)n1.
What is the InChIKey of 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide?
The InChIKey is OTDJTWMOVVACBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN5O/c1-6(2)16(5-8(12)17)9-7(11)4-14-10(13-3)15-9/h4,6H,5H2,1-3H3,(H2,12,17)(H,13,14,15).
What are the key properties of 2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide?
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide has a molecular weight of 302.18 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 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]-propan-2-ylamino]acetamide is sourced from PubChem (CID 80805687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).