6-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine

C13H16N4O — CID 55140338

IUPAC6-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine
SMILESCCc1cc(NCc2ccc(OC)nc2)ncn1
InChIInChI=1S/C13H16N4O/c1-3-11-6-12(17-9-16-11)14-7-10-4-5-13(18-2)15-8-10/h4-6,8-9H,3,7H2,1-2H3,(H,14,16,17)
InChIKeyHUPQOXSSRPPPQD-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.05
Rot. Bonds5

About 6-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine

6-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine (PubChem CID 55140338) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine
PubChem CID55140338
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name6-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine
SMILESCCc1cc(NCc2ccc(OC)nc2)ncn1
InChIInChI=1S/C13H16N4O/c1-3-11-6-12(17-9-16-11)14-7-10-4-5-13(18-2)15-8-10/h4-6,8-9H,3,7H2,1-2H3,(H,14,16,17)
InChIKeyHUPQOXSSRPPPQD-UHFFFAOYSA-N
XLogP2.05
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[(6-methoxy-3-pyridinyl)methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122282197
N-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282422
5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine
CID 115773877
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
N-[(6-methoxy-3-pyridinyl)methyl]pyrazin-2-amine
CID 60710836
N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine
CID 107588350
2-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2,5-diamine
CID 62989531
[(2S)-1-[6-[(6-methoxy-3-pyridinyl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763878
N-(1,3-benzodioxol-5-ylmethyl)-6-ethylpyrimidin-4-amine
CID 55131031
N-[(3,4-dimethoxyphenyl)methyl]-6-propylpyrimidin-4-amine
CID 61240335
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylpyrimidin-4-amine
CID 61236065
N-[(6-methoxy-3-pyridinyl)methyl]-4-nitropyridin-2-amine
CID 62490095

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine (CID 55140338) is 6-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine is CCc1cc(NCc2ccc(OC)nc2)ncn1.
What is the InChIKey of 6-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine?
The InChIKey is HUPQOXSSRPPPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-11-6-12(17-9-16-11)14-7-10-4-5-13(18-2)15-8-10/h4-6,8-9H,3,7H2,1-2H3,(H,14,16,17).
What are the key properties of 6-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine?
6-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine has a molecular weight of 244.30 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 55140338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).