2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]acetamide

C19H22N8O2 — CID 122314809

IUPAC2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCc1ccnc(Nc2cc(NCCNC(=O)Cn3cnc(C)cc3=O)ncn2)c1
InChIInChI=1S/C19H22N8O2/c1-13-3-4-20-16(7-13)26-17-9-15(23-11-24-17)21-5-6-22-18(28)10-27-12-25-14(2)8-19(27)29/h3-4,7-9,11-12H,5-6,10H2,1-2H3,(H,22,28)(H2,20,21,23,24,26)
InChIKeyMQYIZSAVEVCZGZ-UHFFFAOYSA-N
MW394.44 g/mol
LogP1.02
Rot. Bonds8

About 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]acetamide

2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]acetamide (PubChem CID 122314809) has the molecular formula C19H22N8O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]acetamide
PubChem CID122314809
Molecular FormulaC19H22N8O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC Name2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]acetamide
SMILESCc1ccnc(Nc2cc(NCCNC(=O)Cn3cnc(C)cc3=O)ncn2)c1
InChIInChI=1S/C19H22N8O2/c1-13-3-4-20-16(7-13)26-17-9-15(23-11-24-17)21-5-6-22-18(28)10-27-12-25-14(2)8-19(27)29/h3-4,7-9,11-12H,5-6,10H2,1-2H3,(H,22,28)(H2,20,21,23,24,26)
InChIKeyMQYIZSAVEVCZGZ-UHFFFAOYSA-N
XLogP1.02
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 122316885
4-tert-butyl-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
CID 122314519
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]furan-3-carboxamide
CID 122314731
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122307526
N-[2-[[2-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 122291212
3-(3-chlorophenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]propanamide
CID 122314750
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-pyrazol-1-ylacetamide
CID 122288674
2,4-difluoro-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]benzamide
CID 122314561
6-methyl-3-[2-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 122346973
2-(4-methyl-6-oxopyrimidin-1-yl)-N-(1,2-oxazol-3-yl)acetamide
CID 121064043
1-(4-ethoxyphenyl)-3-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]urea
CID 122314590
1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]urea
CID 122314643

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]acetamide?
The IUPAC name of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]acetamide (CID 122314809) is 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]acetamide is Cc1ccnc(Nc2cc(NCCNC(=O)Cn3cnc(C)cc3=O)ncn2)c1.
What is the InChIKey of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]acetamide?
The InChIKey is MQYIZSAVEVCZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O2/c1-13-3-4-20-16(7-13)26-17-9-15(23-11-24-17)21-5-6-22-18(28)10-27-12-25-14(2)8-19(27)29/h3-4,7-9,11-12H,5-6,10H2,1-2H3,(H,22,28)(H2,20,21,23,24,26).
What are the key properties of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]acetamide?
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]acetamide has a molecular weight of 394.44 g/mol, XLogP of 1.02, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 122314809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).