N-methyl-4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyrimidin-5-yl-1,3,5-triazin-2-amine

C20H21N9O — CID 70802127

IUPACN-methyl-4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyrimidin-5-yl-1,3,5-triazin-2-amine
SMILESCc1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N(C)c2cncnc2)n1
InChIInChI=1S/C20H21N9O/c1-14-23-16-5-3-4-6-17(16)29(14)20-25-18(27(2)15-11-21-13-22-12-15)24-19(26-20)28-7-9-30-10-8-28/h3-6,11-13H,7-10H2,1-2H3
InChIKeyTXXLVARUXHOXMN-UHFFFAOYSA-N
MW403.45 g/mol
LogP1.91
Rot. Bonds4

About N-methyl-4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyrimidin-5-yl-1,3,5-triazin-2-amine

N-methyl-4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyrimidin-5-yl-1,3,5-triazin-2-amine (PubChem CID 70802127) has the molecular formula C20H21N9O and a molecular weight of 403.45 g/mol. Its IUPAC name is N-methyl-4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyrimidin-5-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyrimidin-5-yl-1,3,5-triazin-2-amine
PubChem CID70802127
Molecular FormulaC20H21N9O
Molecular Weight403.45 g/mol
Exact Mass403.19
IUPAC NameN-methyl-4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyrimidin-5-yl-1,3,5-triazin-2-amine
SMILESCc1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N(C)c2cncnc2)n1
InChIInChI=1S/C20H21N9O/c1-14-23-16-5-3-4-6-17(16)29(14)20-25-18(27(2)15-11-21-13-22-12-15)24-19(26-20)28-7-9-30-10-8-28/h3-6,11-13H,7-10H2,1-2H3
InChIKeyTXXLVARUXHOXMN-UHFFFAOYSA-N
XLogP1.91
TPSA97.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

N'-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]ethane-1,2-diamine
CID 159415308
2-N,4-N-dimethyl-6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 16955716
N-methyl-3-[[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propanamide
CID 157179491
4-[2-(2-methylbenzimidazol-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59593144
5-[4-morpholin-4-yl-6-(2-propan-2-ylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 70253902
4-[4-[2-(hydroxymethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 11955487
4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 11955443
4-(2-ethylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyridin-4-yl-1,3,5-triazin-2-amine
CID 163440865
4-[4-chloro-6-[2-(difluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 22036872
4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-pyridin-3-yloxy-1,3,5-triazin-2-yl]morpholine
CID 58102783
(2R,3S)-4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2,3-dimethylmorpholine
CID 42613855
4-[2-(difluoromethyl)benzimidazol-1-yl]-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 66570855

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyrimidin-5-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyrimidin-5-yl-1,3,5-triazin-2-amine (CID 70802127) is N-methyl-4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyrimidin-5-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyrimidin-5-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyrimidin-5-yl-1,3,5-triazin-2-amine is Cc1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N(C)c2cncnc2)n1.
What is the InChIKey of N-methyl-4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyrimidin-5-yl-1,3,5-triazin-2-amine?
The InChIKey is TXXLVARUXHOXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N9O/c1-14-23-16-5-3-4-6-17(16)29(14)20-25-18(27(2)15-11-21-13-22-12-15)24-19(26-20)28-7-9-30-10-8-28/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of N-methyl-4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyrimidin-5-yl-1,3,5-triazin-2-amine?
N-methyl-4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyrimidin-5-yl-1,3,5-triazin-2-amine has a molecular weight of 403.45 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-N-pyrimidin-5-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 70802127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).