4-N-methyl-4-N-(oxan-4-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C14H24N6O — CID 80819926

IUPAC4-N-methyl-4-N-(oxan-4-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCN(CC1CCOCC1)c1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C14H24N6O/c1-19(10-11-4-8-21-9-5-11)13-16-12(15)17-14(18-13)20-6-2-3-7-20/h11H,2-10H2,1H3,(H2,15,16,17,18)
InChIKeyJBJPOHLNMTTYQG-UHFFFAOYSA-N
MW292.39 g/mol
LogP0.92
Rot. Bonds4

About 4-N-methyl-4-N-(oxan-4-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

4-N-methyl-4-N-(oxan-4-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80819926) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 4-N-methyl-4-N-(oxan-4-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(oxan-4-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80819926
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name4-N-methyl-4-N-(oxan-4-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCN(CC1CCOCC1)c1nc(N)nc(N2CCCC2)n1
InChIInChI=1S/C14H24N6O/c1-19(10-11-4-8-21-9-5-11)13-16-12(15)17-14(18-13)20-6-2-3-7-20/h11H,2-10H2,1H3,(H2,15,16,17,18)
InChIKeyJBJPOHLNMTTYQG-UHFFFAOYSA-N
XLogP0.92
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-N-methyl-4-N-(oxan-4-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N,4-N,4-N-trimethyl-2-N-(oxan-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80845884
3-[[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80833137
4-(azepan-1-yl)-6-methoxy-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]-1,3,5-triazin-2-amine
CID 124510374
4-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 107403125
4-chloro-N-(cyclopropylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62864587
4-chloro-N-(cyclobutylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62865237
N-(cyclobutylmethyl)-4-hydrazinyl-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80905403
4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80825594
N-(cyclopropylmethyl)-4-hydrazinyl-N-methyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80899275
4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80838404
4-N-methyl-6-pyrrolidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80791014
4-N-methyl-6-pyrrolidin-1-yl-4-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80814113

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(oxan-4-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(oxan-4-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 80819926) is 4-N-methyl-4-N-(oxan-4-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(oxan-4-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(oxan-4-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CN(CC1CCOCC1)c1nc(N)nc(N2CCCC2)n1.
What is the InChIKey of 4-N-methyl-4-N-(oxan-4-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is JBJPOHLNMTTYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-19(10-11-4-8-21-9-5-11)13-16-12(15)17-14(18-13)20-6-2-3-7-20/h11H,2-10H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-methyl-4-N-(oxan-4-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
4-N-methyl-4-N-(oxan-4-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 292.39 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(oxan-4-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80819926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).