N-[2-(dimethylamino)ethyl]-2-[2-(4-hydroxyphenyl)ethylamino]-4-(3-methylanilino)pyrimidine-5-carboxamide

C24H30N6O2 — CID 67388435

IUPACN-[2-(dimethylamino)ethyl]-2-[2-(4-hydroxyphenyl)ethylamino]-4-(3-methylanilino)pyrimidine-5-carboxamide
SMILESCc1cccc(Nc2nc(NCCc3ccc(O)cc3)ncc2C(=O)NCCN(C)C)c1
InChIInChI=1S/C24H30N6O2/c1-17-5-4-6-19(15-17)28-22-21(23(32)25-13-14-30(2)3)16-27-24(29-22)26-12-11-18-7-9-20(31)10-8-18/h4-10,15-16,31H,11-14H2,1-3H3,(H,25,32)(H2,26,27,28,29)
InChIKeyRYMFPRYQHLMUSJ-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.18
Rot. Bonds10

About N-[2-(dimethylamino)ethyl]-2-[2-(4-hydroxyphenyl)ethylamino]-4-(3-methylanilino)pyrimidine-5-carboxamide

N-[2-(dimethylamino)ethyl]-2-[2-(4-hydroxyphenyl)ethylamino]-4-(3-methylanilino)pyrimidine-5-carboxamide (PubChem CID 67388435) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[2-(4-hydroxyphenyl)ethylamino]-4-(3-methylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[2-(4-hydroxyphenyl)ethylamino]-4-(3-methylanilino)pyrimidine-5-carboxamide
PubChem CID67388435
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[2-(4-hydroxyphenyl)ethylamino]-4-(3-methylanilino)pyrimidine-5-carboxamide
SMILESCc1cccc(Nc2nc(NCCc3ccc(O)cc3)ncc2C(=O)NCCN(C)C)c1
InChIInChI=1S/C24H30N6O2/c1-17-5-4-6-19(15-17)28-22-21(23(32)25-13-14-30(2)3)16-27-24(29-22)26-12-11-18-7-9-20(31)10-8-18/h4-10,15-16,31H,11-14H2,1-3H3,(H,25,32)(H2,26,27,28,29)
InChIKeyRYMFPRYQHLMUSJ-UHFFFAOYSA-N
XLogP3.18
TPSA102.41 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[[2-[3-(dimethylamino)anilino]-5-methylpyrimidin-4-yl]amino]ethyl]phenol
CID 117088563
N-benzyl-2-[3-(dimethylamino)propylamino]-4-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 45488377
2-[2-(diaminomethylideneamino)ethylamino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 18460850
2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259417
N-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259537
2-[3-(hydroxymethyl)anilino]-4-(3-methylanilino)pyrimidine-5-carboxamide
CID 44540634
N-[3-(dimethylamino)propyl]-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109301921
4-anilino-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 66576719
3-N-[2-(dimethylamino)ethyl]-5-N-(3-methylphenyl)-1,2,4-triazine-3,5-diamine
CID 112944967
2-[[4-(3-methylanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]ethanol
CID 15295237
4-[2-(3,5-dimethylanilino)ethyl]phenol
CID 170698256
methyl 3-[[5-[2-(dimethylamino)ethylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109252806

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[2-(4-hydroxyphenyl)ethylamino]-4-(3-methylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[2-(4-hydroxyphenyl)ethylamino]-4-(3-methylanilino)pyrimidine-5-carboxamide (CID 67388435) is N-[2-(dimethylamino)ethyl]-2-[2-(4-hydroxyphenyl)ethylamino]-4-(3-methylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[2-(4-hydroxyphenyl)ethylamino]-4-(3-methylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[2-(4-hydroxyphenyl)ethylamino]-4-(3-methylanilino)pyrimidine-5-carboxamide is Cc1cccc(Nc2nc(NCCc3ccc(O)cc3)ncc2C(=O)NCCN(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[2-(4-hydroxyphenyl)ethylamino]-4-(3-methylanilino)pyrimidine-5-carboxamide?
The InChIKey is RYMFPRYQHLMUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-17-5-4-6-19(15-17)28-22-21(23(32)25-13-14-30(2)3)16-27-24(29-22)26-12-11-18-7-9-20(31)10-8-18/h4-10,15-16,31H,11-14H2,1-3H3,(H,25,32)(H2,26,27,28,29).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[2-(4-hydroxyphenyl)ethylamino]-4-(3-methylanilino)pyrimidine-5-carboxamide?
N-[2-(dimethylamino)ethyl]-2-[2-(4-hydroxyphenyl)ethylamino]-4-(3-methylanilino)pyrimidine-5-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.18, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[2-(4-hydroxyphenyl)ethylamino]-4-(3-methylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 67388435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).