4-N-tert-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine

C20H30N6 — CID 22540364

IUPAC4-N-tert-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
SMILESCc1cccc(N2CCN(c3ncnc(NC(C)(C)C)c3N)CC2)c1C
InChIInChI=1S/C20H30N6/c1-14-7-6-8-16(15(14)2)25-9-11-26(12-10-25)19-17(21)18(22-13-23-19)24-20(3,4)5/h6-8,13H,9-12,21H2,1-5H3,(H,22,23,24)
InChIKeyRCAOAEHYCDGFRJ-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.21
Rot. Bonds3

About 4-N-tert-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine

4-N-tert-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine (PubChem CID 22540364) has the molecular formula C20H30N6 and a molecular weight of 354.50 g/mol. Its IUPAC name is 4-N-tert-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
PubChem CID22540364
Molecular FormulaC20H30N6
Molecular Weight354.50 g/mol
Exact Mass354.25
IUPAC Name4-N-tert-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
SMILESCc1cccc(N2CCN(c3ncnc(NC(C)(C)C)c3N)CC2)c1C
InChIInChI=1S/C20H30N6/c1-14-7-6-8-16(15(14)2)25-9-11-26(12-10-25)19-17(21)18(22-13-23-19)24-20(3,4)5/h6-8,13H,9-12,21H2,1-5H3,(H,22,23,24)
InChIKeyRCAOAEHYCDGFRJ-UHFFFAOYSA-N
XLogP3.21
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3,4-dichlorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 22546918
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine
CID 19147620
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5-diamine
CID 19142625
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine
CID 19153551
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19140378
4-N-(2,4-dichlorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19149844
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 19150032
4-N-(3-chloro-4-fluorophenyl)-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19153074
N'-[5-amino-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152192
N'-[5-amino-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]-4-bromobenzohydrazide
CID 19151082
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-phenylsulfanylpyrimidin-5-amine
CID 19149748
4-N,4-N-dibenzyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19136465

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine?
The IUPAC name of 4-N-tert-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine (CID 22540364) is 4-N-tert-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-tert-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-tert-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine is Cc1cccc(N2CCN(c3ncnc(NC(C)(C)C)c3N)CC2)c1C.
What is the InChIKey of 4-N-tert-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine?
The InChIKey is RCAOAEHYCDGFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6/c1-14-7-6-8-16(15(14)2)25-9-11-26(12-10-25)19-17(21)18(22-13-23-19)24-20(3,4)5/h6-8,13H,9-12,21H2,1-5H3,(H,22,23,24).
What are the key properties of 4-N-tert-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine?
4-N-tert-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine has a molecular weight of 354.50 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4,5-diamine is sourced from PubChem (CID 22540364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).