4-(3-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine

C12H20N4O — CID 66331198

IUPAC4-(3-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine
SMILESCC1CN(c2cc(OC(C)C)ncn2)CCN1
InChIInChI=1S/C12H20N4O/c1-9(2)17-12-6-11(14-8-15-12)16-5-4-13-10(3)7-16/h6,8-10,13H,4-5,7H2,1-3H3
InChIKeyCLFSDPJHUUPXHZ-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.06
Rot. Bonds3

About 4-(3-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine

4-(3-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine (PubChem CID 66331198) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-(3-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine.

Molecular Properties

Compound Name4-(3-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine
PubChem CID66331198
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-(3-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine
SMILESCC1CN(c2cc(OC(C)C)ncn2)CCN1
InChIInChI=1S/C12H20N4O/c1-9(2)17-12-6-11(14-8-15-12)16-5-4-13-10(3)7-16/h6,8-10,13H,4-5,7H2,1-3H3
InChIKeyCLFSDPJHUUPXHZ-UHFFFAOYSA-N
XLogP1.06
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine?
The IUPAC name of 4-(3-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine (CID 66331198) is 4-(3-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine.
What is the SMILES notation for 4-(3-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine?
The canonical SMILES for 4-(3-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine is CC1CN(c2cc(OC(C)C)ncn2)CCN1.
What is the InChIKey of 4-(3-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine?
The InChIKey is CLFSDPJHUUPXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(2)17-12-6-11(14-8-15-12)16-5-4-13-10(3)7-16/h6,8-10,13H,4-5,7H2,1-3H3.
What are the key properties of 4-(3-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine?
4-(3-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine has a molecular weight of 236.32 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine is sourced from PubChem (CID 66331198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).