4-(azepan-1-yl)-N-(piperidin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine

C20H33N5 — CID 66902692

IUPAC4-(azepan-1-yl)-N-(piperidin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESC1CCCN(c2nc(NCC3CCCCN3)nc3c2CCCC3)CC1
InChIInChI=1S/C20H33N5/c1-2-8-14-25(13-7-1)19-17-10-3-4-11-18(17)23-20(24-19)22-15-16-9-5-6-12-21-16/h16,21H,1-15H2,(H,22,23,24)
InChIKeyMRYKIUHTZBPQCC-UHFFFAOYSA-N
MW343.52 g/mol
LogP3.29
Rot. Bonds4

About 4-(azepan-1-yl)-N-(piperidin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine

4-(azepan-1-yl)-N-(piperidin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 66902692) has the molecular formula C20H33N5 and a molecular weight of 343.52 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-(piperidin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-(piperidin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID66902692
Molecular FormulaC20H33N5
Molecular Weight343.52 g/mol
Exact Mass343.27
IUPAC Name4-(azepan-1-yl)-N-(piperidin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESC1CCCN(c2nc(NCC3CCCCN3)nc3c2CCCC3)CC1
InChIInChI=1S/C20H33N5/c1-2-8-14-25(13-7-1)19-17-10-3-4-11-18(17)23-20(24-19)22-15-16-9-5-6-12-21-16/h16,21H,1-15H2,(H,22,23,24)
InChIKeyMRYKIUHTZBPQCC-UHFFFAOYSA-N
XLogP3.29
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-(piperidin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-N-(piperidin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine (CID 66902692) is 4-(azepan-1-yl)-N-(piperidin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-N-(piperidin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-N-(piperidin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine is C1CCCN(c2nc(NCC3CCCCN3)nc3c2CCCC3)CC1.
What is the InChIKey of 4-(azepan-1-yl)-N-(piperidin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is MRYKIUHTZBPQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5/c1-2-8-14-25(13-7-1)19-17-10-3-4-11-18(17)23-20(24-19)22-15-16-9-5-6-12-21-16/h16,21H,1-15H2,(H,22,23,24).
What are the key properties of 4-(azepan-1-yl)-N-(piperidin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
4-(azepan-1-yl)-N-(piperidin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 343.52 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-(piperidin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 66902692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).