6-ethoxy-5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine

C12H18N6O — CID 66327697

IUPAC6-ethoxy-5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine
SMILESCCOc1ncnc(NCCCc2ncn[nH]2)c1C
InChIInChI=1S/C12H18N6O/c1-3-19-12-9(2)11(15-7-16-12)13-6-4-5-10-14-8-17-18-10/h7-8H,3-6H2,1-2H3,(H,13,15,16)(H,14,17,18)
InChIKeyNJGIFUAICFHWOK-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.35
Rot. Bonds7

About 6-ethoxy-5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine

6-ethoxy-5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine (PubChem CID 66327697) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 6-ethoxy-5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine
PubChem CID66327697
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name6-ethoxy-5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine
SMILESCCOc1ncnc(NCCCc2ncn[nH]2)c1C
InChIInChI=1S/C12H18N6O/c1-3-19-12-9(2)11(15-7-16-12)13-6-4-5-10-14-8-17-18-10/h7-8H,3-6H2,1-2H3,(H,13,15,16)(H,14,17,18)
InChIKeyNJGIFUAICFHWOK-UHFFFAOYSA-N
XLogP1.35
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine
CID 115326240
4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide
CID 66326842
6-chloro-5-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine
CID 106195121
6-ethoxy-5-methyl-N-pent-3-ynylpyrimidin-4-amine
CID 116644552
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-7H-purin-6-amine
CID 64530053
methyl 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propanoate
CID 66326780
6-ethoxy-5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 66326868
5,6-dimethyl-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridazine-4-carbonitrile
CID 78998795
6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 66326862
3-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazine-2,3-diamine
CID 102984527
6-ethoxy-5-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
CID 66327056
3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 66325613

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine (CID 66327697) is 6-ethoxy-5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine is CCOc1ncnc(NCCCc2ncn[nH]2)c1C.
What is the InChIKey of 6-ethoxy-5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine?
The InChIKey is NJGIFUAICFHWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-3-19-12-9(2)11(15-7-16-12)13-6-4-5-10-14-8-17-18-10/h7-8H,3-6H2,1-2H3,(H,13,15,16)(H,14,17,18).
What are the key properties of 6-ethoxy-5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine?
6-ethoxy-5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine has a molecular weight of 262.32 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 66327697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).