4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine

C11H19N5O — CID 80791929

IUPAC4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(N2CCCC2C)n1
InChIInChI=1S/C11H19N5O/c1-3-7-17-11-14-9(12)13-10(15-11)16-6-4-5-8(16)2/h8H,3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyWKFOPMKHOHJPNI-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.23
Rot. Bonds4

About 4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine

4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80791929) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80791929
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(N)nc(N2CCCC2C)n1
InChIInChI=1S/C11H19N5O/c1-3-7-17-11-14-9(12)13-10(15-11)16-6-4-5-8(16)2/h8H,3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyWKFOPMKHOHJPNI-UHFFFAOYSA-N
XLogP1.23
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine
CID 82794418
N-methyl-4-pyrrolidin-1-yl-6-(3,3,3-trifluoropropoxy)-1,3,5-triazin-2-amine
CID 82959420
2-Amino-4-butoxy-6-(1-piperidyl)-s-triazine
CID 459156
2-N-cyclopentyl-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 13577414
6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
CID 21057729
6-[2-(Methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
CID 21941756
2-N-butan-2-yl-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 67912782
6-[(1-Methylpyrrolidin-2-yl)methoxy]-1,3,5-triazine-2,4-diamine
CID 69637648
4-N-methyl-4-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 10988267
2-N-cyclopentyl-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 13577411
2-N-cyclopentyl-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 13577412
4-Propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 23009039

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine (CID 80791929) is 4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(N)nc(N2CCCC2C)n1.
What is the InChIKey of 4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is WKFOPMKHOHJPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-3-7-17-11-14-9(12)13-10(15-11)16-6-4-5-8(16)2/h8H,3-7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine?
4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 237.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrrolidin-1-yl)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80791929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).