2,4-bis[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidin-6-one

C24H30N8O — CID 135839351

IUPAC2,4-bis[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidin-6-one
SMILESCN1CCN(c2ccnc(-c3cc(=O)[nH]c(-c4cc(N5CCN(C)CC5)ccn4)n3)c2)CC1
InChIInChI=1S/C24H30N8O/c1-29-7-11-31(12-8-29)18-3-5-25-20(15-18)21-17-23(33)28-24(27-21)22-16-19(4-6-26-22)32-13-9-30(2)10-14-32/h3-6,15-17H,7-14H2,1-2H3,(H,27,28,33)
InChIKeyWYJIQGIMJMPVFP-UHFFFAOYSA-N
MW446.56 g/mol
LogP1.40
Rot. Bonds4

About 2,4-bis[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidin-6-one

2,4-bis[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 135839351) has the molecular formula C24H30N8O and a molecular weight of 446.56 g/mol. Its IUPAC name is 2,4-bis[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-bis[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidin-6-one
PubChem CID135839351
Molecular FormulaC24H30N8O
Molecular Weight446.56 g/mol
Exact Mass446.25
IUPAC Name2,4-bis[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidin-6-one
SMILESCN1CCN(c2ccnc(-c3cc(=O)[nH]c(-c4cc(N5CCN(C)CC5)ccn4)n3)c2)CC1
InChIInChI=1S/C24H30N8O/c1-29-7-11-31(12-8-29)18-3-5-25-20(15-18)21-17-23(33)28-24(27-21)22-16-19(4-6-26-22)32-13-9-30(2)10-14-32/h3-6,15-17H,7-14H2,1-2H3,(H,27,28,33)
InChIKeyWYJIQGIMJMPVFP-UHFFFAOYSA-N
XLogP1.40
TPSA84.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-bis[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidin-6-one (CID 135839351) is 2,4-bis[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-bis[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-bis[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidin-6-one is CN1CCN(c2ccnc(-c3cc(=O)[nH]c(-c4cc(N5CCN(C)CC5)ccn4)n3)c2)CC1.
What is the InChIKey of 2,4-bis[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is WYJIQGIMJMPVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O/c1-29-7-11-31(12-8-29)18-3-5-25-20(15-18)21-17-23(33)28-24(27-21)22-16-19(4-6-26-22)32-13-9-30(2)10-14-32/h3-6,15-17H,7-14H2,1-2H3,(H,27,28,33).
What are the key properties of 2,4-bis[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidin-6-one?
2,4-bis[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 446.56 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135839351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).