[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone

C16H26N6O — CID 46345551

IUPAC[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1nc(N2CCN(C)CC2)ncc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C16H26N6O/c1-13-14(15(23)21-8-4-19(2)5-9-21)12-17-16(18-13)22-10-6-20(3)7-11-22/h12H,4-11H2,1-3H3
InChIKeyPROKFDLDUSAQQQ-UHFFFAOYSA-N
MW318.43 g/mol
LogP-0.08
Rot. Bonds2

About [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone

[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 46345551) has the molecular formula C16H26N6O and a molecular weight of 318.43 g/mol. Its IUPAC name is [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID46345551
Molecular FormulaC16H26N6O
Molecular Weight318.43 g/mol
Exact Mass318.22
IUPAC Name[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1nc(N2CCN(C)CC2)ncc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C16H26N6O/c1-13-14(15(23)21-8-4-19(2)5-9-21)12-17-16(18-13)22-10-6-20(3)7-11-22/h12H,4-11H2,1-3H3
InChIKeyPROKFDLDUSAQQQ-UHFFFAOYSA-N
XLogP-0.08
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone (CID 46345551) is [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone is Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1CCN(C)CC1.
What is the InChIKey of [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is PROKFDLDUSAQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O/c1-13-14(15(23)21-8-4-19(2)5-9-21)12-17-16(18-13)22-10-6-20(3)7-11-22/h12H,4-11H2,1-3H3.
What are the key properties of [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone?
[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 318.43 g/mol, XLogP of -0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 46345551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).