2-[4-(5,7-diaminopyrimido[4,5-d]pyrimidin-2-yl)-2,3,5,6-tetramethylpiperazin-1-yl]pyrimido[4,5-d]pyrimidine-5,7-diamine

C20H26N14 — CID 59679327

IUPAC2-[4-(5,7-diaminopyrimido[4,5-d]pyrimidin-2-yl)-2,3,5,6-tetramethylpiperazin-1-yl]pyrimido[4,5-d]pyrimidine-5,7-diamine
SMILESCC1C(C)N(c2ncc3c(N)nc(N)nc3n2)C(C)C(C)N1c1ncc2c(N)nc(N)nc2n1
InChIInChI=1S/C20H26N14/c1-7-8(2)34(20-26-6-12-14(22)28-18(24)30-16(12)32-20)10(4)9(3)33(7)19-25-5-11-13(21)27-17(23)29-15(11)31-19/h5-10H,1-4H3,(H4,21,23,25,27,29,31)(H4,22,24,26,28,30,32)
InChIKeyZJLWFSVFQXTZPC-UHFFFAOYSA-N
MW462.53 g/mol
LogP0.36
Rot. Bonds2

About 2-[4-(5,7-diaminopyrimido[4,5-d]pyrimidin-2-yl)-2,3,5,6-tetramethylpiperazin-1-yl]pyrimido[4,5-d]pyrimidine-5,7-diamine

2-[4-(5,7-diaminopyrimido[4,5-d]pyrimidin-2-yl)-2,3,5,6-tetramethylpiperazin-1-yl]pyrimido[4,5-d]pyrimidine-5,7-diamine (PubChem CID 59679327) has the molecular formula C20H26N14 and a molecular weight of 462.53 g/mol. Its IUPAC name is 2-[4-(5,7-diaminopyrimido[4,5-d]pyrimidin-2-yl)-2,3,5,6-tetramethylpiperazin-1-yl]pyrimido[4,5-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name2-[4-(5,7-diaminopyrimido[4,5-d]pyrimidin-2-yl)-2,3,5,6-tetramethylpiperazin-1-yl]pyrimido[4,5-d]pyrimidine-5,7-diamine
PubChem CID59679327
Molecular FormulaC20H26N14
Molecular Weight462.53 g/mol
Exact Mass462.25
IUPAC Name2-[4-(5,7-diaminopyrimido[4,5-d]pyrimidin-2-yl)-2,3,5,6-tetramethylpiperazin-1-yl]pyrimido[4,5-d]pyrimidine-5,7-diamine
SMILESCC1C(C)N(c2ncc3c(N)nc(N)nc3n2)C(C)C(C)N1c1ncc2c(N)nc(N)nc2n1
InChIInChI=1S/C20H26N14/c1-7-8(2)34(20-26-6-12-14(22)28-18(24)30-16(12)32-20)10(4)9(3)33(7)19-25-5-11-13(21)27-17(23)29-15(11)31-19/h5-10H,1-4H3,(H4,21,23,25,27,29,31)(H4,22,24,26,28,30,32)
InChIKeyZJLWFSVFQXTZPC-UHFFFAOYSA-N
XLogP0.36
TPSA213.68 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.53
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 2-[4-(5,7-diaminopyrimido[4,5-d]pyrimidin-2-yl)-2,3,5,6-tetramethylpiperazin-1-yl]pyrimido[4,5-d]pyrimidine-5,7-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,7-diaminopyrimido[4,5-d]pyrimidin-2-yl)-2,3,5,6-tetramethylpiperazin-1-yl]pyrimido[4,5-d]pyrimidine-5,7-diamine?
The IUPAC name of 2-[4-(5,7-diaminopyrimido[4,5-d]pyrimidin-2-yl)-2,3,5,6-tetramethylpiperazin-1-yl]pyrimido[4,5-d]pyrimidine-5,7-diamine (CID 59679327) is 2-[4-(5,7-diaminopyrimido[4,5-d]pyrimidin-2-yl)-2,3,5,6-tetramethylpiperazin-1-yl]pyrimido[4,5-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 2-[4-(5,7-diaminopyrimido[4,5-d]pyrimidin-2-yl)-2,3,5,6-tetramethylpiperazin-1-yl]pyrimido[4,5-d]pyrimidine-5,7-diamine?
The canonical SMILES for 2-[4-(5,7-diaminopyrimido[4,5-d]pyrimidin-2-yl)-2,3,5,6-tetramethylpiperazin-1-yl]pyrimido[4,5-d]pyrimidine-5,7-diamine is CC1C(C)N(c2ncc3c(N)nc(N)nc3n2)C(C)C(C)N1c1ncc2c(N)nc(N)nc2n1.
What is the InChIKey of 2-[4-(5,7-diaminopyrimido[4,5-d]pyrimidin-2-yl)-2,3,5,6-tetramethylpiperazin-1-yl]pyrimido[4,5-d]pyrimidine-5,7-diamine?
The InChIKey is ZJLWFSVFQXTZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N14/c1-7-8(2)34(20-26-6-12-14(22)28-18(24)30-16(12)32-20)10(4)9(3)33(7)19-25-5-11-13(21)27-17(23)29-15(11)31-19/h5-10H,1-4H3,(H4,21,23,25,27,29,31)(H4,22,24,26,28,30,32).
What are the key properties of 2-[4-(5,7-diaminopyrimido[4,5-d]pyrimidin-2-yl)-2,3,5,6-tetramethylpiperazin-1-yl]pyrimido[4,5-d]pyrimidine-5,7-diamine?
2-[4-(5,7-diaminopyrimido[4,5-d]pyrimidin-2-yl)-2,3,5,6-tetramethylpiperazin-1-yl]pyrimido[4,5-d]pyrimidine-5,7-diamine has a molecular weight of 462.53 g/mol, XLogP of 0.36, 2 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,7-diaminopyrimido[4,5-d]pyrimidin-2-yl)-2,3,5,6-tetramethylpiperazin-1-yl]pyrimido[4,5-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 59679327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).