6-[2-(dimethylamino)ethylamino]-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide

C18H25N5O — CID 109365996

IUPAC6-[2-(dimethylamino)ethylamino]-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1nc(NCCN(C)C)cc(C(=O)NCc2ccccc2C)n1
InChIInChI=1S/C18H25N5O/c1-13-7-5-6-8-15(13)12-20-18(24)16-11-17(22-14(2)21-16)19-9-10-23(3)4/h5-8,11H,9-10,12H2,1-4H3,(H,20,24)(H,19,21,22)
InChIKeyTVLOWIZRDVKQBX-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.00
Rot. Bonds7

About 6-[2-(dimethylamino)ethylamino]-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide

6-[2-(dimethylamino)ethylamino]-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109365996) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethylamino]-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethylamino]-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109365996
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name6-[2-(dimethylamino)ethylamino]-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1nc(NCCN(C)C)cc(C(=O)NCc2ccccc2C)n1
InChIInChI=1S/C18H25N5O/c1-13-7-5-6-8-15(13)12-20-18(24)16-11-17(22-14(2)21-16)19-9-10-23(3)4/h5-8,11H,9-10,12H2,1-4H3,(H,20,24)(H,19,21,22)
InChIKeyTVLOWIZRDVKQBX-UHFFFAOYSA-N
XLogP2.00
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109366003
6-(2-methoxyethylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109364632
2-methyl-N-[(2-methylphenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368604
N-benzyl-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368361
N-[2-(dimethylamino)ethyl]-6-[2-(2-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109366189
2-[2-(dimethylamino)ethylamino]-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 109167781
2-methyl-6-[(2-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109368512
N-(3-methoxypropyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109365172
6-(5-chloro-2-methylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368669
6-(cyclohexylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109363787
6-(2,4-dimethylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368652
2-methyl-6-[(2-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide
CID 109368537

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethylamino]-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(dimethylamino)ethylamino]-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109365996) is 6-[2-(dimethylamino)ethylamino]-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(dimethylamino)ethylamino]-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(dimethylamino)ethylamino]-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide is Cc1nc(NCCN(C)C)cc(C(=O)NCc2ccccc2C)n1.
What is the InChIKey of 6-[2-(dimethylamino)ethylamino]-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is TVLOWIZRDVKQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13-7-5-6-8-15(13)12-20-18(24)16-11-17(22-14(2)21-16)19-9-10-23(3)4/h5-8,11H,9-10,12H2,1-4H3,(H,20,24)(H,19,21,22).
What are the key properties of 6-[2-(dimethylamino)ethylamino]-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
6-[2-(dimethylamino)ethylamino]-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethylamino]-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109365996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).