2-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]quinazolin-4-amine

C18H27N5O — CID 95333156

IUPAC2-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]quinazolin-4-amine
SMILESCC[C@@H]1CN(Cc2nc(N)c3ccccc3n2)CCN1CCOC
InChIInChI=1S/C18H27N5O/c1-3-14-12-22(8-9-23(14)10-11-24-2)13-17-20-16-7-5-4-6-15(16)18(19)21-17/h4-7,14H,3,8-13H2,1-2H3,(H2,19,20,21)/t14-/m1/s1
InChIKeyMKBSINKZMFGHGQ-CQSZACIVSA-N
MW329.45 g/mol
LogP1.75
Rot. Bonds6

About 2-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]quinazolin-4-amine

2-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]quinazolin-4-amine (PubChem CID 95333156) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]quinazolin-4-amine
PubChem CID95333156
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name2-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]quinazolin-4-amine
SMILESCC[C@@H]1CN(Cc2nc(N)c3ccccc3n2)CCN1CCOC
InChIInChI=1S/C18H27N5O/c1-3-14-12-22(8-9-23(14)10-11-24-2)13-17-20-16-7-5-4-6-15(16)18(19)21-17/h4-7,14H,3,8-13H2,1-2H3,(H2,19,20,21)/t14-/m1/s1
InChIKeyMKBSINKZMFGHGQ-CQSZACIVSA-N
XLogP1.75
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]quinazolin-4-amine?
The IUPAC name of 2-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]quinazolin-4-amine (CID 95333156) is 2-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 2-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]quinazolin-4-amine is CC[C@@H]1CN(Cc2nc(N)c3ccccc3n2)CCN1CCOC.
What is the InChIKey of 2-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]quinazolin-4-amine?
The InChIKey is MKBSINKZMFGHGQ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N5O/c1-3-14-12-22(8-9-23(14)10-11-24-2)13-17-20-16-7-5-4-6-15(16)18(19)21-17/h4-7,14H,3,8-13H2,1-2H3,(H2,19,20,21)/t14-/m1/s1.
What are the key properties of 2-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]quinazolin-4-amine?
2-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]quinazolin-4-amine has a molecular weight of 329.45 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 95333156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).