3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-hydroxypropanamide

C10H15BrN4O2 — CID 106178721

IUPAC3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-hydroxypropanamide
SMILESCCCc1nc(Br)cc(NCC(O)C(N)=O)n1
InChIInChI=1S/C10H15BrN4O2/c1-2-3-8-14-7(11)4-9(15-8)13-5-6(16)10(12)17/h4,6,16H,2-3,5H2,1H3,(H2,12,17)(H,13,14,15)
InChIKeyKFTFSWGOPBOTAR-UHFFFAOYSA-N
MW303.16 g/mol
LogP0.45
Rot. Bonds6

About 3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-hydroxypropanamide

3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-hydroxypropanamide (PubChem CID 106178721) has the molecular formula C10H15BrN4O2 and a molecular weight of 303.16 g/mol. Its IUPAC name is 3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-hydroxypropanamide
PubChem CID106178721
Molecular FormulaC10H15BrN4O2
Molecular Weight303.16 g/mol
Exact Mass302.04
IUPAC Name3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-hydroxypropanamide
SMILESCCCc1nc(Br)cc(NCC(O)C(N)=O)n1
InChIInChI=1S/C10H15BrN4O2/c1-2-3-8-14-7(11)4-9(15-8)13-5-6(16)10(12)17/h4,6,16H,2-3,5H2,1H3,(H2,12,17)(H,13,14,15)
InChIKeyKFTFSWGOPBOTAR-UHFFFAOYSA-N
XLogP0.45
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide
CID 106178955
3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106352656
3-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-hydroxypropanamide
CID 106178960
2-hydroxy-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanamide
CID 114153504
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80945317
1-[(6-amino-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107159526
3-[(2,6-dichloropyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 130569835
3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 80947904
3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106179473
6-bromo-2-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
CID 102907356
2-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 105058671
1-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-4-methylpentan-2-ol
CID 107159692

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-hydroxypropanamide?
The IUPAC name of 3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-hydroxypropanamide (CID 106178721) is 3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-hydroxypropanamide is CCCc1nc(Br)cc(NCC(O)C(N)=O)n1.
What is the InChIKey of 3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-hydroxypropanamide?
The InChIKey is KFTFSWGOPBOTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O2/c1-2-3-8-14-7(11)4-9(15-8)13-5-6(16)10(12)17/h4,6,16H,2-3,5H2,1H3,(H2,12,17)(H,13,14,15).
What are the key properties of 3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-hydroxypropanamide?
3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-hydroxypropanamide has a molecular weight of 303.16 g/mol, XLogP of 0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-2-propylpyrimidin-4-yl)amino]-2-hydroxypropanamide is sourced from PubChem (CID 106178721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).