4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

C17H24N8 — CID 56870006

IUPAC4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESCc1cc(C)nc(N2CCN(c3nc(N)nc4c3CCNC4)CC2)n1
InChIInChI=1S/C17H24N8/c1-11-9-12(2)21-17(20-11)25-7-5-24(6-8-25)15-13-3-4-19-10-14(13)22-16(18)23-15/h9,19H,3-8,10H2,1-2H3,(H2,18,22,23)
InChIKeyWCWZUWROMAIVDS-UHFFFAOYSA-N
MW340.44 g/mol
LogP0.44
Rot. Bonds2

About 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine

4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (PubChem CID 56870006) has the molecular formula C17H24N8 and a molecular weight of 340.44 g/mol. Its IUPAC name is 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
PubChem CID56870006
Molecular FormulaC17H24N8
Molecular Weight340.44 g/mol
Exact Mass340.21
IUPAC Name4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine
SMILESCc1cc(C)nc(N2CCN(c3nc(N)nc4c3CCNC4)CC2)n1
InChIInChI=1S/C17H24N8/c1-11-9-12(2)21-17(20-11)25-7-5-24(6-8-25)15-13-3-4-19-10-14(13)22-16(18)23-15/h9,19H,3-8,10H2,1-2H3,(H2,18,22,23)
InChIKeyWCWZUWROMAIVDS-UHFFFAOYSA-N
XLogP0.44
TPSA96.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine (CID 56870006) is 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is Cc1cc(C)nc(N2CCN(c3nc(N)nc4c3CCNC4)CC2)n1.
What is the InChIKey of 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is WCWZUWROMAIVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8/c1-11-9-12(2)21-17(20-11)25-7-5-24(6-8-25)15-13-3-4-19-10-14(13)22-16(18)23-15/h9,19H,3-8,10H2,1-2H3,(H2,18,22,23).
What are the key properties of 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine?
4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 340.44 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 56870006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).