6-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine

C14H26N6O — CID 80813901

IUPAC6-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(OC)nc(N(C)CC2CCN(C)C2)n1
InChIInChI=1S/C14H26N6O/c1-5-7-15-12-16-13(18-14(17-12)21-4)20(3)10-11-6-8-19(2)9-11/h11H,5-10H2,1-4H3,(H,15,16,17,18)
InChIKeyPHFYJNJIAHJVTR-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.09
Rot. Bonds7

About 6-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine

6-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80813901) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 6-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80813901
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name6-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(OC)nc(N(C)CC2CCN(C)C2)n1
InChIInChI=1S/C14H26N6O/c1-5-7-15-12-16-13(18-14(17-12)21-4)20(3)10-11-6-8-19(2)9-11/h11H,5-10H2,1-4H3,(H,15,16,17,18)
InChIKeyPHFYJNJIAHJVTR-UHFFFAOYSA-N
XLogP1.09
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(cyclopropylmethyl)-2-N-ethyl-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80839849
[1-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 80757527
2-N-(cyclobutylmethyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80782877
4-methoxy-6-(4-methyl-1,4-diazepan-1-yl)-N-propyl-1,3,5-triazin-2-amine
CID 80765758
6-methoxy-2-N-methyl-2-N-(3-methylbutan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80793517
6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 63275034
2-[cyclobutyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 102875727
3-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylpropanamide
CID 106918542
6-chloro-2-N-methyl-2-N-(oxan-4-ylmethyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80845641
6-methoxy-2-N-methyl-2-N-(4-methylpentan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80810740
3-[[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclobutan-1-ol
CID 80856564
6-methoxy-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80773776

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80813901) is 6-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(OC)nc(N(C)CC2CCN(C)C2)n1.
What is the InChIKey of 6-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is PHFYJNJIAHJVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-5-7-15-12-16-13(18-14(17-12)21-4)20(3)10-11-6-8-19(2)9-11/h11H,5-10H2,1-4H3,(H,15,16,17,18).
What are the key properties of 6-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 294.40 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80813901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).