N-[4-(dimethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide

C20H28N6O — CID 66504096

IUPACN-[4-(dimethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide
SMILESCCN1CCN(c2ncc(C(=O)Nc3ccc(N(C)C)cc3)c(C)n2)CC1
InChIInChI=1S/C20H28N6O/c1-5-25-10-12-26(13-11-25)20-21-14-18(15(2)22-20)19(27)23-16-6-8-17(9-7-16)24(3)4/h6-9,14H,5,10-13H2,1-4H3,(H,23,27)
InChIKeyRKLZEDAHKHTRIN-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.25
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide

N-[4-(dimethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide (PubChem CID 66504096) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide
PubChem CID66504096
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide
SMILESCCN1CCN(c2ncc(C(=O)Nc3ccc(N(C)C)cc3)c(C)n2)CC1
InChIInChI=1S/C20H28N6O/c1-5-25-10-12-26(13-11-25)20-21-14-18(15(2)22-20)19(27)23-16-6-8-17(9-7-16)24(3)4/h6-9,14H,5,10-13H2,1-4H3,(H,23,27)
InChIKeyRKLZEDAHKHTRIN-UHFFFAOYSA-N
XLogP2.25
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

Mocetinostat
CID 9865515
(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
Prt-060318
CID 11493841
Cerdulatinib
CID 44595079
4-((4-Methyl-1-piperazinyl)methyl)-N-(3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)-benzamide
CID 4369496
Jnk-IN-8
CID 57340686
Narazaciclib
CID 56649281
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108892
2-cyano-4-(cyclohexylamino)-N-{2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108902
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[3-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108904
Jnk-IN-7
CID 57340685
Prostaglandin D synthase (hematopoietic-type) inhibitor F092
CID 134812607

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide (CID 66504096) is N-[4-(dimethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide is CCN1CCN(c2ncc(C(=O)Nc3ccc(N(C)C)cc3)c(C)n2)CC1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide?
The InChIKey is RKLZEDAHKHTRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-5-25-10-12-26(13-11-25)20-21-14-18(15(2)22-20)19(27)23-16-6-8-17(9-7-16)24(3)4/h6-9,14H,5,10-13H2,1-4H3,(H,23,27).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide?
N-[4-(dimethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide has a molecular weight of 368.49 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 66504096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).