4-(1,3-dioxolan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine

C12H18N4O2 — CID 44613634

IUPAC4-(1,3-dioxolan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2nccc(C3OCCO3)n2)CC1
InChIInChI=1S/C12H18N4O2/c1-15-4-6-16(7-5-15)12-13-3-2-10(14-12)11-17-8-9-18-11/h2-3,11H,4-9H2,1H3
InChIKeyNJGOXJPHUCPWHA-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.27
Rot. Bonds2

About 4-(1,3-dioxolan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine

4-(1,3-dioxolan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 44613634) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID44613634
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-(1,3-dioxolan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2nccc(C3OCCO3)n2)CC1
InChIInChI=1S/C12H18N4O2/c1-15-4-6-16(7-5-15)12-13-3-2-10(14-12)11-17-8-9-18-11/h2-3,11H,4-9H2,1H3
InChIKeyNJGOXJPHUCPWHA-UHFFFAOYSA-N
XLogP0.27
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxolan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(1,3-dioxolan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine (CID 44613634) is 4-(1,3-dioxolan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine is CN1CCN(c2nccc(C3OCCO3)n2)CC1.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is NJGOXJPHUCPWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-15-4-6-16(7-5-15)12-13-3-2-10(14-12)11-17-8-9-18-11/h2-3,11H,4-9H2,1H3.
What are the key properties of 4-(1,3-dioxolan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
4-(1,3-dioxolan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 250.30 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 44613634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).