6-(4-bromo-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide

C16H20BrN5O — CID 109344379

IUPAC6-(4-bromo-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
SMILESCc1cc(Br)ccc1Nc1cc(C(=O)NCCN(C)C)ncn1
InChIInChI=1S/C16H20BrN5O/c1-11-8-12(17)4-5-13(11)21-15-9-14(19-10-20-15)16(23)18-6-7-22(2)3/h4-5,8-10H,6-7H2,1-3H3,(H,18,23)(H,19,20,21)
InChIKeyNCIHQHXPUIQLJB-UHFFFAOYSA-N
MW378.27 g/mol
LogP2.58
Rot. Bonds6

About 6-(4-bromo-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide

6-(4-bromo-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide (PubChem CID 109344379) has the molecular formula C16H20BrN5O and a molecular weight of 378.27 g/mol. Its IUPAC name is 6-(4-bromo-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-bromo-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
PubChem CID109344379
Molecular FormulaC16H20BrN5O
Molecular Weight378.27 g/mol
Exact Mass377.09
IUPAC Name6-(4-bromo-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
SMILESCc1cc(Br)ccc1Nc1cc(C(=O)NCCN(C)C)ncn1
InChIInChI=1S/C16H20BrN5O/c1-11-8-12(17)4-5-13(11)21-15-9-14(19-10-20-15)16(23)18-6-7-22(2)3/h4-5,8-10H,6-7H2,1-3H3,(H,18,23)(H,19,20,21)
InChIKeyNCIHQHXPUIQLJB-UHFFFAOYSA-N
XLogP2.58
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-bromo-2-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338601
6-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344377
6-(4-bromo-2-methylanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353479
6-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344386
6-(4-bromo-2-methylanilino)-N-tert-butylpyrimidine-4-carboxamide
CID 109353932
6-(2,5-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344394
6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356491
6-(4-bromo-2-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154506
6-(2,3-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344397
6-(3-bromoanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109344991
6-(2,6-diethylanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344323
6-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344392

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-bromo-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide (CID 109344379) is 6-(4-bromo-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-bromo-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-bromo-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide is Cc1cc(Br)ccc1Nc1cc(C(=O)NCCN(C)C)ncn1.
What is the InChIKey of 6-(4-bromo-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide?
The InChIKey is NCIHQHXPUIQLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN5O/c1-11-8-12(17)4-5-13(11)21-15-9-14(19-10-20-15)16(23)18-6-7-22(2)3/h4-5,8-10H,6-7H2,1-3H3,(H,18,23)(H,19,20,21).
What are the key properties of 6-(4-bromo-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide?
6-(4-bromo-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide has a molecular weight of 378.27 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-methylanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109344379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).