6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-ylpteridin-2-amine;6-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpteridin-2-amine

C34H41N17O2 — CID 69227910

IUPAC6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-ylpteridin-2-amine;6-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpteridin-2-amine
SMILESCN1CCN(c2ccc(-c3cnc4nc(N)nc(N5CCOCC5)c4n3)cn2)CC1.Cn1cc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cn1
InChIInChI=1S/C20H25N9O.C14H16N8O/c1-27-4-6-28(7-5-27)16-3-2-14(12-22-16)15-13-23-18-17(24-15)19(26-20(21)25-18)29-8-10-30-11-9-29;1-21-8-9(6-17-21)10-7-16-12-11(18-10)13(20-14(15)19-12)22-2-4-23-5-3-22/h2-3,12-13H,4-11H2,1H3,(H2,21,23,25,26);6-8H,2-5H2,1H3,(H2,15,16,19,20)
InChIKeyZXXOVBRVWWMIMG-UHFFFAOYSA-N
MW719.82 g/mol
LogP0.89
Rot. Bonds5

About 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-ylpteridin-2-amine;6-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpteridin-2-amine

6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-ylpteridin-2-amine;6-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpteridin-2-amine (PubChem CID 69227910) has the molecular formula C34H41N17O2 and a molecular weight of 719.82 g/mol. Its IUPAC name is 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-ylpteridin-2-amine;6-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpteridin-2-amine.

Molecular Properties

Compound Name6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-ylpteridin-2-amine;6-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpteridin-2-amine
PubChem CID69227910
Molecular FormulaC34H41N17O2
Molecular Weight719.82 g/mol
Exact Mass719.36
IUPAC Name6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-ylpteridin-2-amine;6-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpteridin-2-amine
SMILESCN1CCN(c2ccc(-c3cnc4nc(N)nc(N5CCOCC5)c4n3)cn2)CC1.Cn1cc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cn1
InChIInChI=1S/C20H25N9O.C14H16N8O/c1-27-4-6-28(7-5-27)16-3-2-14(12-22-16)15-13-23-18-17(24-15)19(26-20(21)25-18)29-8-10-30-11-9-29;1-21-8-9(6-17-21)10-7-16-12-11(18-10)13(20-14(15)19-12)22-2-4-23-5-3-22/h2-3,12-13H,4-11H2,1H3,(H2,21,23,25,26);6-8H,2-5H2,1H3,(H2,15,16,19,20)
InChIKeyZXXOVBRVWWMIMG-UHFFFAOYSA-N
XLogP0.89
TPSA217.29 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.82
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-ylpteridin-2-amine;6-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpteridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-ylpteridin-2-amine;6-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpteridin-2-amine?
The IUPAC name of 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-ylpteridin-2-amine;6-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpteridin-2-amine (CID 69227910) is 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-ylpteridin-2-amine;6-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpteridin-2-amine.
What is the SMILES notation for 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-ylpteridin-2-amine;6-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpteridin-2-amine?
The canonical SMILES for 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-ylpteridin-2-amine;6-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpteridin-2-amine is CN1CCN(c2ccc(-c3cnc4nc(N)nc(N5CCOCC5)c4n3)cn2)CC1.Cn1cc(-c2cnc3nc(N)nc(N4CCOCC4)c3n2)cn1.
What is the InChIKey of 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-ylpteridin-2-amine;6-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpteridin-2-amine?
The InChIKey is ZXXOVBRVWWMIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N9O.C14H16N8O/c1-27-4-6-28(7-5-27)16-3-2-14(12-22-16)15-13-23-18-17(24-15)19(26-20(21)25-18)29-8-10-30-11-9-29;1-21-8-9(6-17-21)10-7-16-12-11(18-10)13(20-14(15)19-12)22-2-4-23-5-3-22/h2-3,12-13H,4-11H2,1H3,(H2,21,23,25,26);6-8H,2-5H2,1H3,(H2,15,16,19,20).
What are the key properties of 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-ylpteridin-2-amine;6-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpteridin-2-amine?
6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-ylpteridin-2-amine;6-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpteridin-2-amine has a molecular weight of 719.82 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-ylpteridin-2-amine;6-(1-methylpyrazol-4-yl)-4-morpholin-4-ylpteridin-2-amine is sourced from PubChem (CID 69227910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).