2-(dimethylamino)-4-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]pyrimidine-5-carboxamide

C16H22N6O — CID 72906705

IUPAC2-(dimethylamino)-4-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]pyrimidine-5-carboxamide
SMILESCc1ccnc(NCCNC(=O)c2cnc(N(C)C)nc2C)c1
InChIInChI=1S/C16H22N6O/c1-11-5-6-17-14(9-11)18-7-8-19-15(23)13-10-20-16(22(3)4)21-12(13)2/h5-6,9-10H,7-8H2,1-4H3,(H,17,18)(H,19,23)
InChIKeyLWKQHFLAEGHFAH-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.40
Rot. Bonds6

About 2-(dimethylamino)-4-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]pyrimidine-5-carboxamide

2-(dimethylamino)-4-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]pyrimidine-5-carboxamide (PubChem CID 72906705) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(dimethylamino)-4-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-4-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]pyrimidine-5-carboxamide
PubChem CID72906705
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name2-(dimethylamino)-4-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]pyrimidine-5-carboxamide
SMILESCc1ccnc(NCCNC(=O)c2cnc(N(C)C)nc2C)c1
InChIInChI=1S/C16H22N6O/c1-11-5-6-17-14(9-11)18-7-8-19-15(23)13-10-20-16(22(3)4)21-12(13)2/h5-6,9-10H,7-8H2,1-4H3,(H,17,18)(H,19,23)
InChIKeyLWKQHFLAEGHFAH-UHFFFAOYSA-N
XLogP1.40
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-4-methyl-N-[2-(methylamino)ethyl]pyrimidine-5-carboxamide;hydrochloride
CID 154884970
3,5-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]imidazole-4-carboxamide
CID 118782921
2,4-dimethyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 121064501
tert-butyl N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]carbamate
CID 115695358
N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 64828497
2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 72858955
2,4-difluoro-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
CID 122314561
2,4-dichloro-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
CID 122315358
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 121064497
4-tert-butyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
CID 122314519
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-4-methylpyrimidine-5-carboxamide
CID 131918647
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyridine-2-carboxamide
CID 122288531

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-4-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]pyrimidine-5-carboxamide (CID 72906705) is 2-(dimethylamino)-4-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-4-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-4-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]pyrimidine-5-carboxamide is Cc1ccnc(NCCNC(=O)c2cnc(N(C)C)nc2C)c1.
What is the InChIKey of 2-(dimethylamino)-4-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]pyrimidine-5-carboxamide?
The InChIKey is LWKQHFLAEGHFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-11-5-6-17-14(9-11)18-7-8-19-15(23)13-10-20-16(22(3)4)21-12(13)2/h5-6,9-10H,7-8H2,1-4H3,(H,17,18)(H,19,23).
What are the key properties of 2-(dimethylamino)-4-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]pyrimidine-5-carboxamide?
2-(dimethylamino)-4-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]pyrimidine-5-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72906705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).