4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C20H25ClN6 — CID 91960650

IUPAC4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(N3CCN(Cc4ccc(Cl)cc4)CC3)nc(N(C)C)nc2[nH]1
InChIInChI=1S/C20H25ClN6/c1-14-12-17-18(22-14)23-20(25(2)3)24-19(17)27-10-8-26(9-11-27)13-15-4-6-16(21)7-5-15/h4-7,12H,8-11,13H2,1-3H3,(H,22,23,24)
InChIKeyILSXVIYESBAPLK-UHFFFAOYSA-N
MW384.92 g/mol
LogP3.31
Rot. Bonds4

About 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine

4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 91960650) has the molecular formula C20H25ClN6 and a molecular weight of 384.92 g/mol. Its IUPAC name is 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID91960650
Molecular FormulaC20H25ClN6
Molecular Weight384.92 g/mol
Exact Mass384.18
IUPAC Name4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(N3CCN(Cc4ccc(Cl)cc4)CC3)nc(N(C)C)nc2[nH]1
InChIInChI=1S/C20H25ClN6/c1-14-12-17-18(22-14)23-20(25(2)3)24-19(17)27-10-8-26(9-11-27)13-15-4-6-16(21)7-5-15/h4-7,12H,8-11,13H2,1-3H3,(H,22,23,24)
InChIKeyILSXVIYESBAPLK-UHFFFAOYSA-N
XLogP3.31
TPSA51.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.92
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

6-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 34700430
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-methyl-2-phenylthieno[2,3-d]pyrimidine
CID 91965219
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
CID 165433565
2-[4-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 110430461
ethyl 1-[2-(dimethylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate
CID 91960758
4-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-6-methylquinazoline
CID 112843812
6-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N-dimethylpyridazin-3-amine
CID 154575777
2-[4-(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 110431089
1-[(4-chlorophenyl)methyl]-4-[(4-ethylphenyl)methyl]piperazine
CID 877900
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline
CID 177373905
4-(azepan-1-yl)-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 91961000
12-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
CID 35477883

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 91960650) is 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is Cc1cc2c(N3CCN(Cc4ccc(Cl)cc4)CC3)nc(N(C)C)nc2[nH]1.
What is the InChIKey of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is ILSXVIYESBAPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN6/c1-14-12-17-18(22-14)23-20(25(2)3)24-19(17)27-10-8-26(9-11-27)13-15-4-6-16(21)7-5-15/h4-7,12H,8-11,13H2,1-3H3,(H,22,23,24).
What are the key properties of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 384.92 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 91960650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).