2-N,2-N,6-trimethyl-4-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C21H35N7 — CID 91960657

IUPAC2-N,2-N,6-trimethyl-4-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc2c(NCC3(N4CCN(C)CC4)CCCCC3)nc(N(C)C)nc2[nH]1
InChIInChI=1S/C21H35N7/c1-16-14-17-18(24-20(26(2)3)25-19(17)23-16)22-15-21(8-6-5-7-9-21)28-12-10-27(4)11-13-28/h14H,5-13,15H2,1-4H3,(H2,22,23,24,25)
InChIKeyTXSRZKSMVMHGFL-UHFFFAOYSA-N
MW385.56 g/mol
LogP2.69
Rot. Bonds5

About 2-N,2-N,6-trimethyl-4-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

2-N,2-N,6-trimethyl-4-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 91960657) has the molecular formula C21H35N7 and a molecular weight of 385.56 g/mol. Its IUPAC name is 2-N,2-N,6-trimethyl-4-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,6-trimethyl-4-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
PubChem CID91960657
Molecular FormulaC21H35N7
Molecular Weight385.56 g/mol
Exact Mass385.30
IUPAC Name2-N,2-N,6-trimethyl-4-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SMILESCc1cc2c(NCC3(N4CCN(C)CC4)CCCCC3)nc(N(C)C)nc2[nH]1
InChIInChI=1S/C21H35N7/c1-16-14-17-18(24-20(26(2)3)25-19(17)23-16)22-15-21(8-6-5-7-9-21)28-12-10-27(4)11-13-28/h14H,5-13,15H2,1-4H3,(H2,22,23,24,25)
InChIKeyTXSRZKSMVMHGFL-UHFFFAOYSA-N
XLogP2.69
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N,2-N,6-trimethyl-4-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-trimethyl-4-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N,6-trimethyl-4-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 91960657) is 2-N,2-N,6-trimethyl-4-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,6-trimethyl-4-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N,6-trimethyl-4-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is Cc1cc2c(NCC3(N4CCN(C)CC4)CCCCC3)nc(N(C)C)nc2[nH]1.
What is the InChIKey of 2-N,2-N,6-trimethyl-4-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is TXSRZKSMVMHGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N7/c1-16-14-17-18(24-20(26(2)3)25-19(17)23-16)22-15-21(8-6-5-7-9-21)28-12-10-27(4)11-13-28/h14H,5-13,15H2,1-4H3,(H2,22,23,24,25).
What are the key properties of 2-N,2-N,6-trimethyl-4-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?
2-N,2-N,6-trimethyl-4-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 385.56 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-trimethyl-4-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 91960657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).