5-bromo-2-N-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine

C14H18BrN5 — CID 80765776

IUPAC5-bromo-2-N-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
SMILESCCCNc1ncc(Br)c(NCCc2ccccn2)n1
InChIInChI=1S/C14H18BrN5/c1-2-7-18-14-19-10-12(15)13(20-14)17-9-6-11-5-3-4-8-16-11/h3-5,8,10H,2,6-7,9H2,1H3,(H2,17,18,19,20)
InChIKeyBRJCMQOLLNHEMY-UHFFFAOYSA-N
MW336.24 g/mol
LogP3.11
Rot. Bonds7

About 5-bromo-2-N-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine

5-bromo-2-N-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine (PubChem CID 80765776) has the molecular formula C14H18BrN5 and a molecular weight of 336.24 g/mol. Its IUPAC name is 5-bromo-2-N-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
PubChem CID80765776
Molecular FormulaC14H18BrN5
Molecular Weight336.24 g/mol
Exact Mass335.07
IUPAC Name5-bromo-2-N-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
SMILESCCCNc1ncc(Br)c(NCCc2ccccn2)n1
InChIInChI=1S/C14H18BrN5/c1-2-7-18-14-19-10-12(15)13(20-14)17-9-6-11-5-3-4-8-16-11/h3-5,8,10H,2,6-7,9H2,1H3,(H2,17,18,19,20)
InChIKeyBRJCMQOLLNHEMY-UHFFFAOYSA-N
XLogP3.11
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565375
5-bromo-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80769891
5-bromo-2-N-(1H-indazol-6-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 10409271
5-bromo-2-N-(1H-indol-4-yl)-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 10454172
5-bromo-4-N-tert-butyl-2-N-propylpyrimidine-2,4-diamine
CID 80768856
4-N,5-dimethyl-2-N-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 80750116
5-bromo-4-N-(2,3-dimethylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 80845273
N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-2-amine
CID 114273415
5-bromo-2-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 83147667
5-bromo-4-N-[(5-bromothiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80837168
5-bromo-2-N-propyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
CID 80845683
2-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 115978124

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine (CID 80765776) is 5-bromo-2-N-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine is CCCNc1ncc(Br)c(NCCc2ccccn2)n1.
What is the InChIKey of 5-bromo-2-N-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is BRJCMQOLLNHEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5/c1-2-7-18-14-19-10-12(15)13(20-14)17-9-6-11-5-3-4-8-16-11/h3-5,8,10H,2,6-7,9H2,1H3,(H2,17,18,19,20).
What are the key properties of 5-bromo-2-N-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine?
5-bromo-2-N-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 336.24 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80765776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).