5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine

C13H21BrN4 — CID 79719331

IUPAC5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
SMILESCCCN(CC1CCNCC1)c1ncc(Br)cn1
InChIInChI=1S/C13H21BrN4/c1-2-7-18(10-11-3-5-15-6-4-11)13-16-8-12(14)9-17-13/h8-9,11,15H,2-7,10H2,1H3
InChIKeyJEDLMCFMHCEMTN-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.46
Rot. Bonds5

About 5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine

5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine (PubChem CID 79719331) has the molecular formula C13H21BrN4 and a molecular weight of 313.24 g/mol. Its IUPAC name is 5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
PubChem CID79719331
Molecular FormulaC13H21BrN4
Molecular Weight313.24 g/mol
Exact Mass312.09
IUPAC Name5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
SMILESCCCN(CC1CCNCC1)c1ncc(Br)cn1
InChIInChI=1S/C13H21BrN4/c1-2-7-18(10-11-3-5-15-6-4-11)13-16-8-12(14)9-17-13/h8-9,11,15H,2-7,10H2,1H3
InChIKeyJEDLMCFMHCEMTN-UHFFFAOYSA-N
XLogP2.46
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-nitro-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
CID 79719258
5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridin-3-amine
CID 114194238
N-(piperidin-4-ylmethyl)-N-propylquinazolin-2-amine
CID 114789514
2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,5-diamine
CID 61146606
4-ethoxy-6-methyl-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
CID 115973542
5-bromo-N-(2-chloroethyl)-N-propylpyrimidin-2-amine
CID 63873651
N-(piperidin-4-ylmethyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 79719326
N'-(5-bromopyrimidin-2-yl)-N'-propylpropane-1,3-diamine
CID 63874708
6-methyl-2-[piperidin-4-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
CID 107552637
5-bromo-3-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine
CID 62001137
4-chloro-6-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,3,5-triazin-2-amine
CID 79720046
N-(piperidin-4-ylmethyl)-N,3-dipropyl-1,2,4-thiadiazol-5-amine
CID 79720120

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine (CID 79719331) is 5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine is CCCN(CC1CCNCC1)c1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine?
The InChIKey is JEDLMCFMHCEMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4/c1-2-7-18(10-11-3-5-15-6-4-11)13-16-8-12(14)9-17-13/h8-9,11,15H,2-7,10H2,1H3.
What are the key properties of 5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine?
5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine has a molecular weight of 313.24 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 79719331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).