N,6-dimethyl-2-[4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine

C19H24N6O — CID 110113781

IUPACN,6-dimethyl-2-[4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
SMILESCNc1cc(C)nc(C2COCCN2Cc2nc3ccccc3n2C)n1
InChIInChI=1S/C19H24N6O/c1-13-10-17(20-2)23-19(21-13)16-12-26-9-8-25(16)11-18-22-14-6-4-5-7-15(14)24(18)3/h4-7,10,16H,8-9,11-12H2,1-3H3,(H,20,21,23)
InChIKeyLDHVVRHILQGPLY-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.29
Rot. Bonds4

About N,6-dimethyl-2-[4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine

N,6-dimethyl-2-[4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine (PubChem CID 110113781) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is N,6-dimethyl-2-[4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-[4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
PubChem CID110113781
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC NameN,6-dimethyl-2-[4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine
SMILESCNc1cc(C)nc(C2COCCN2Cc2nc3ccccc3n2C)n1
InChIInChI=1S/C19H24N6O/c1-13-10-17(20-2)23-19(21-13)16-12-26-9-8-25(16)11-18-22-14-6-4-5-7-15(14)24(18)3/h4-7,10,16H,8-9,11-12H2,1-3H3,(H,20,21,23)
InChIKeyLDHVVRHILQGPLY-UHFFFAOYSA-N
XLogP2.29
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-[4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-2-[4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine (CID 110113781) is N,6-dimethyl-2-[4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-2-[4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-2-[4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine is CNc1cc(C)nc(C2COCCN2Cc2nc3ccccc3n2C)n1.
What is the InChIKey of N,6-dimethyl-2-[4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
The InChIKey is LDHVVRHILQGPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-13-10-17(20-2)23-19(21-13)16-12-26-9-8-25(16)11-18-22-14-6-4-5-7-15(14)24(18)3/h4-7,10,16H,8-9,11-12H2,1-3H3,(H,20,21,23).
What are the key properties of N,6-dimethyl-2-[4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine?
N,6-dimethyl-2-[4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine has a molecular weight of 352.44 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-[4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 110113781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).