4-[3-(diethylamino)pyrrolidin-1-yl]-6-methoxy-1,3,5-triazin-2-amine

C12H22N6O — CID 80827963

IUPAC4-[3-(diethylamino)pyrrolidin-1-yl]-6-methoxy-1,3,5-triazin-2-amine
SMILESCCN(CC)C1CCN(c2nc(N)nc(OC)n2)C1
InChIInChI=1S/C12H22N6O/c1-4-17(5-2)9-6-7-18(8-9)11-14-10(13)15-12(16-11)19-3/h9H,4-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyJWZXRSVHETZVOI-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.38
Rot. Bonds5

About 4-[3-(diethylamino)pyrrolidin-1-yl]-6-methoxy-1,3,5-triazin-2-amine

4-[3-(diethylamino)pyrrolidin-1-yl]-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 80827963) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-[3-(diethylamino)pyrrolidin-1-yl]-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[3-(diethylamino)pyrrolidin-1-yl]-6-methoxy-1,3,5-triazin-2-amine
PubChem CID80827963
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name4-[3-(diethylamino)pyrrolidin-1-yl]-6-methoxy-1,3,5-triazin-2-amine
SMILESCCN(CC)C1CCN(c2nc(N)nc(OC)n2)C1
InChIInChI=1S/C12H22N6O/c1-4-17(5-2)9-6-7-18(8-9)11-14-10(13)15-12(16-11)19-3/h9H,4-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyJWZXRSVHETZVOI-UHFFFAOYSA-N
XLogP0.38
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(dimethylamino)piperidin-1-yl]-6-methoxy-1,3,5-triazin-2-amine
CID 80793675
4-(4,4-dimethylpiperidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 80823660
2-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862624
4-[3-(diethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80827694
(3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-ol
CID 103696650
2-[3-(diethylamino)pyrrolidin-1-yl]-6-methylpyrimidine-4-carbothioamide
CID 107547420
4-(3,3-dimethylpyrrolidin-1-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 80854590
6-[3-(dimethylamino)piperidin-1-yl]-4-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80833498
4-methoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3,5-triazin-2-amine
CID 80837205
2,4-dimethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazine
CID 141014855
4-[3-(diethylamino)pyrrolidin-1-yl]-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103327595
1-[3-(aminomethyl)-6-methyl-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine
CID 63171615

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)pyrrolidin-1-yl]-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-[3-(diethylamino)pyrrolidin-1-yl]-6-methoxy-1,3,5-triazin-2-amine (CID 80827963) is 4-[3-(diethylamino)pyrrolidin-1-yl]-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[3-(diethylamino)pyrrolidin-1-yl]-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[3-(diethylamino)pyrrolidin-1-yl]-6-methoxy-1,3,5-triazin-2-amine is CCN(CC)C1CCN(c2nc(N)nc(OC)n2)C1.
What is the InChIKey of 4-[3-(diethylamino)pyrrolidin-1-yl]-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is JWZXRSVHETZVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-4-17(5-2)9-6-7-18(8-9)11-14-10(13)15-12(16-11)19-3/h9H,4-8H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-[3-(diethylamino)pyrrolidin-1-yl]-6-methoxy-1,3,5-triazin-2-amine?
4-[3-(diethylamino)pyrrolidin-1-yl]-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 266.35 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)pyrrolidin-1-yl]-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80827963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).