6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

C13H16N4O — CID 66327754

IUPAC6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCCCOc1cc(NCc2ccccn2)ncn1
InChIInChI=1S/C13H16N4O/c1-2-7-18-13-8-12(16-10-17-13)15-9-11-5-3-4-6-14-11/h3-6,8,10H,2,7,9H2,1H3,(H,15,16,17)
InChIKeyZEKXFZZFJUFIHD-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.27
Rot. Bonds6

About 6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 66327754) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID66327754
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCCCOc1cc(NCc2ccccn2)ncn1
InChIInChI=1S/C13H16N4O/c1-2-7-18-13-8-12(16-10-17-13)15-9-11-5-3-4-6-14-11/h3-6,8,10H,2,7,9H2,1H3,(H,15,16,17)
InChIKeyZEKXFZZFJUFIHD-UHFFFAOYSA-N
XLogP2.27
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 82454039
N-[(3-methyl-2-pyridinyl)methyl]-6-propoxypyrimidin-4-amine
CID 66329796
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-propoxypyrimidin-4-amine
CID 66329191
4-N,4-N-dipropyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112860603
N-(2-phenoxyethyl)-6-propoxypyrimidin-4-amine
CID 66329980
4-[[(6-propoxypyrimidin-4-yl)amino]methyl]phenol
CID 114332543
N-[[3-(chloromethyl)phenyl]methyl]-6-propoxypyrimidin-4-amine
CID 66332407
6-ethoxy-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine
CID 114111488
6-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 106972572
N-(1H-imidazol-2-ylmethyl)-6-propoxypyrimidin-4-amine
CID 66329022
[6-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]hydrazine
CID 80913517
N-(2-chloro-2-phenylethyl)-6-propoxypyrimidin-4-amine
CID 66331181

Frequently Asked Questions

What is the IUPAC name of 6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 66327754) is 6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is CCCOc1cc(NCc2ccccn2)ncn1.
What is the InChIKey of 6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is ZEKXFZZFJUFIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-7-18-13-8-12(16-10-17-13)15-9-11-5-3-4-6-14-11/h3-6,8,10H,2,7,9H2,1H3,(H,15,16,17).
What are the key properties of 6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 244.30 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66327754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).