2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine

C13H21N5 — CID 12602877

IUPAC2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCN1CCN(c2nc(N)c3c(n2)CCCC3)CC1
InChIInChI=1S/C13H21N5/c1-17-6-8-18(9-7-17)13-15-11-5-3-2-4-10(11)12(14)16-13/h2-9H2,1H3,(H2,14,15,16)
InChIKeyKVZUQYVLMMHKKD-UHFFFAOYSA-N
MW247.35 g/mol
LogP0.69
Rot. Bonds1

About 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine

2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 12602877) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID12602877
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCN1CCN(c2nc(N)c3c(n2)CCCC3)CC1
InChIInChI=1S/C13H21N5/c1-17-6-8-18(9-7-17)13-15-11-5-3-2-4-10(11)12(14)16-13/h2-9H2,1H3,(H2,14,15,16)
InChIKeyKVZUQYVLMMHKKD-UHFFFAOYSA-N
XLogP0.69
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 12602877) is 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is CN1CCN(c2nc(N)c3c(n2)CCCC3)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is KVZUQYVLMMHKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-17-6-8-18(9-7-17)13-15-11-5-3-2-4-10(11)12(14)16-13/h2-9H2,1H3,(H2,14,15,16).
What are the key properties of 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 247.35 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 12602877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).