4-methyl-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazolin-2-amine

C18H29N5O — CID 171359243

IUPAC4-methyl-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCc1nc(NC2COCC2N2CCN(C)CC2)nc2c1CCCC2
InChIInChI=1S/C18H29N5O/c1-13-14-5-3-4-6-15(14)20-18(19-13)21-16-11-24-12-17(16)23-9-7-22(2)8-10-23/h16-17H,3-12H2,1-2H3,(H,19,20,21)
InChIKeyFTSPSHKJMVYKLR-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.09
Rot. Bonds3

About 4-methyl-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazolin-2-amine

4-methyl-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 171359243) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-methyl-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID171359243
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name4-methyl-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCc1nc(NC2COCC2N2CCN(C)CC2)nc2c1CCCC2
InChIInChI=1S/C18H29N5O/c1-13-14-5-3-4-6-15(14)20-18(19-13)21-16-11-24-12-17(16)23-9-7-22(2)8-10-23/h16-17H,3-12H2,1-2H3,(H,19,20,21)
InChIKeyFTSPSHKJMVYKLR-UHFFFAOYSA-N
XLogP1.09
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 4-methyl-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazolin-2-amine (CID 171359243) is 4-methyl-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 4-methyl-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 4-methyl-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazolin-2-amine is Cc1nc(NC2COCC2N2CCN(C)CC2)nc2c1CCCC2.
What is the InChIKey of 4-methyl-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is FTSPSHKJMVYKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-13-14-5-3-4-6-15(14)20-18(19-13)21-16-11-24-12-17(16)23-9-7-22(2)8-10-23/h16-17H,3-12H2,1-2H3,(H,19,20,21).
What are the key properties of 4-methyl-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
4-methyl-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 331.46 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 171359243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).