N-methyl-3-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide

C12H21N7O2 — CID 80792732

IUPACN-methyl-3-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide
SMILESCNC(=O)CCNc1nc(NC)nc(N2CCOCC2)n1
InChIInChI=1S/C12H21N7O2/c1-13-9(20)3-4-15-11-16-10(14-2)17-12(18-11)19-5-7-21-8-6-19/h3-8H2,1-2H3,(H,13,20)(H2,14,15,16,17,18)
InChIKeyFQZBHDMVJISAKI-UHFFFAOYSA-N
MW295.35 g/mol
LogP-0.70
Rot. Bonds6

About N-methyl-3-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide

N-methyl-3-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide (PubChem CID 80792732) has the molecular formula C12H21N7O2 and a molecular weight of 295.35 g/mol. Its IUPAC name is N-methyl-3-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide
PubChem CID80792732
Molecular FormulaC12H21N7O2
Molecular Weight295.35 g/mol
Exact Mass295.18
IUPAC NameN-methyl-3-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide
SMILESCNC(=O)CCNc1nc(NC)nc(N2CCOCC2)n1
InChIInChI=1S/C12H21N7O2/c1-13-9(20)3-4-15-11-16-10(14-2)17-12(18-11)19-5-7-21-8-6-19/h3-8H2,1-2H3,(H,13,20)(H2,14,15,16,17,18)
InChIKeyFQZBHDMVJISAKI-UHFFFAOYSA-N
XLogP-0.70
TPSA104.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]acetamide
CID 80769709
N-methyl-3-[[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide
CID 157179491
2-N-(2-methoxyethyl)-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80765285
4-N-methyl-2-N-(3-methylpentan-3-yl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 106332082
5-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]pentanamide
CID 106241670
2-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80770087
4-N-methyl-6-morpholin-4-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773229
2-methyl-2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 80824824
2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetic acid
CID 4767395
2-N-cyclopropyl-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80769956
2-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 80780756
1-[[4-morpholin-4-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80773597

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide?
The IUPAC name of N-methyl-3-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide (CID 80792732) is N-methyl-3-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide.
What is the SMILES notation for N-methyl-3-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide?
The canonical SMILES for N-methyl-3-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide is CNC(=O)CCNc1nc(NC)nc(N2CCOCC2)n1.
What is the InChIKey of N-methyl-3-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide?
The InChIKey is FQZBHDMVJISAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7O2/c1-13-9(20)3-4-15-11-16-10(14-2)17-12(18-11)19-5-7-21-8-6-19/h3-8H2,1-2H3,(H,13,20)(H2,14,15,16,17,18).
What are the key properties of N-methyl-3-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide?
N-methyl-3-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide has a molecular weight of 295.35 g/mol, XLogP of -0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[4-(methylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide is sourced from PubChem (CID 80792732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).