4-[(3R)-3-phenylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine

C18H23N5 — CID 97188114

IUPAC4-[(3R)-3-phenylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESNc1nc2c(c(N3CCN[C@H](c4ccccc4)C3)n1)CCCC2
InChIInChI=1S/C18H23N5/c19-18-21-15-9-5-4-8-14(15)17(22-18)23-11-10-20-16(12-23)13-6-2-1-3-7-13/h1-3,6-7,16,20H,4-5,8-12H2,(H2,19,21,22)/t16-/m0/s1
InChIKeyVUCGFLOUDGHWLN-INIZCTEOSA-N
MW309.42 g/mol
LogP2.09
Rot. Bonds2

About 4-[(3R)-3-phenylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine

4-[(3R)-3-phenylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 97188114) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is 4-[(3R)-3-phenylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name4-[(3R)-3-phenylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID97188114
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name4-[(3R)-3-phenylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESNc1nc2c(c(N3CCN[C@H](c4ccccc4)C3)n1)CCCC2
InChIInChI=1S/C18H23N5/c19-18-21-15-9-5-4-8-14(15)17(22-18)23-11-10-20-16(12-23)13-6-2-1-3-7-13/h1-3,6-7,16,20H,4-5,8-12H2,(H2,19,21,22)/t16-/m0/s1
InChIKeyVUCGFLOUDGHWLN-INIZCTEOSA-N
XLogP2.09
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(3R)-3-phenylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine with MolForge

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Related Compounds

5-ethyl-4-(3-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 72862152
5-ethyl-4-[(3S)-3-phenylpiperazin-1-yl]pyrimidin-2-amine
CID 97192131
5-ethyl-4-[(3R)-3-phenylpiperazin-1-yl]pyrimidin-2-amine
CID 97192130
5-bromo-3-(3-phenylpiperazin-1-yl)pyrazin-2-amine
CID 16740447
4-(3-phenylpiperazin-1-yl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56885686
4-[(3R)-3-phenylpiperazin-1-yl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 95723333
(2R,4R)-9-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154563738
6,7-dimethyl-4-[(3R)-3-phenylpiperazin-1-yl]quinazoline
CID 143607812
1-chloro-3-phenylpiperazine
CID 18428014
1,3-diphenyl-1,4-diazepane
CID 64944093
4-[2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
CID 72912800
3-(4-chlorophenyl)-1-phenylpiperazine
CID 68577139

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-phenylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 4-[(3R)-3-phenylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine (CID 97188114) is 4-[(3R)-3-phenylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 4-[(3R)-3-phenylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 4-[(3R)-3-phenylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine is Nc1nc2c(c(N3CCN[C@H](c4ccccc4)C3)n1)CCCC2.
What is the InChIKey of 4-[(3R)-3-phenylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is VUCGFLOUDGHWLN-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N5/c19-18-21-15-9-5-4-8-14(15)17(22-18)23-11-10-20-16(12-23)13-6-2-1-3-7-13/h1-3,6-7,16,20H,4-5,8-12H2,(H2,19,21,22)/t16-/m0/s1.
What are the key properties of 4-[(3R)-3-phenylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine?
4-[(3R)-3-phenylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 309.42 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-phenylpiperazin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 97188114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).