1-[4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]ethanone

C14H21N5O — CID 12602885

IUPAC1-[4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(N)c3c(n2)CCCC3)CC1
InChIInChI=1S/C14H21N5O/c1-10(20)18-6-8-19(9-7-18)14-16-12-5-3-2-4-11(12)13(15)17-14/h2-9H2,1H3,(H2,15,16,17)
InChIKeyIXTTVZZATSSDNS-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.61
Rot. Bonds1

About 1-[4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]ethanone

1-[4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]ethanone (PubChem CID 12602885) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-[4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]ethanone
PubChem CID12602885
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-[4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(N)c3c(n2)CCCC3)CC1
InChIInChI=1S/C14H21N5O/c1-10(20)18-6-8-19(9-7-18)14-16-12-5-3-2-4-11(12)13(15)17-14/h2-9H2,1H3,(H2,15,16,17)
InChIKeyIXTTVZZATSSDNS-UHFFFAOYSA-N
XLogP0.61
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]ethanone (CID 12602885) is 1-[4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc(N)c3c(n2)CCCC3)CC1.
What is the InChIKey of 1-[4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is IXTTVZZATSSDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-10(20)18-6-8-19(9-7-18)14-16-12-5-3-2-4-11(12)13(15)17-14/h2-9H2,1H3,(H2,15,16,17).
What are the key properties of 1-[4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]ethanone?
1-[4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 275.36 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 12602885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).