2-methylpropyl 4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carboxylate

C17H27N5O2 — CID 12602881

IUPAC2-methylpropyl 4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(c2nc(N)c3c(n2)CCCC3)CC1
InChIInChI=1S/C17H27N5O2/c1-12(2)11-24-17(23)22-9-7-21(8-10-22)16-19-14-6-4-3-5-13(14)15(18)20-16/h12H,3-11H2,1-2H3,(H2,18,19,20)
InChIKeyMQXIWFHANFKBOL-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.85
Rot. Bonds3

About 2-methylpropyl 4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carboxylate

2-methylpropyl 4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carboxylate (PubChem CID 12602881) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-methylpropyl 4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carboxylate
PubChem CID12602881
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name2-methylpropyl 4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCN(c2nc(N)c3c(n2)CCCC3)CC1
InChIInChI=1S/C17H27N5O2/c1-12(2)11-24-17(23)22-9-7-21(8-10-22)16-19-14-6-4-3-5-13(14)15(18)20-16/h12H,3-11H2,1-2H3,(H2,18,19,20)
InChIKeyMQXIWFHANFKBOL-UHFFFAOYSA-N
XLogP1.85
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carboxylate (CID 12602881) is 2-methylpropyl 4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carboxylate is CC(C)COC(=O)N1CCN(c2nc(N)c3c(n2)CCCC3)CC1.
What is the InChIKey of 2-methylpropyl 4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carboxylate?
The InChIKey is MQXIWFHANFKBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-12(2)11-24-17(23)22-9-7-21(8-10-22)16-19-14-6-4-3-5-13(14)15(18)20-16/h12H,3-11H2,1-2H3,(H2,18,19,20).
What are the key properties of 2-methylpropyl 4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carboxylate?
2-methylpropyl 4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carboxylate has a molecular weight of 333.44 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(4-amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 12602881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).