N-(1,3-dimethylpiperidin-4-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine

C17H28N4 — CID 133461721

IUPACN-(1,3-dimethylpiperidin-4-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nc2c(c(N(C)C3CCN(C)CC3C)n1)CCCC2
InChIInChI=1S/C17H28N4/c1-12-11-20(3)10-9-16(12)21(4)17-14-7-5-6-8-15(14)18-13(2)19-17/h12,16H,5-11H2,1-4H3
InChIKeyOLSPTBVZTHWTTF-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.44
Rot. Bonds2

About N-(1,3-dimethylpiperidin-4-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine

N-(1,3-dimethylpiperidin-4-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 133461721) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(1,3-dimethylpiperidin-4-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-(1,3-dimethylpiperidin-4-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID133461721
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-(1,3-dimethylpiperidin-4-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCc1nc2c(c(N(C)C3CCN(C)CC3C)n1)CCCC2
InChIInChI=1S/C17H28N4/c1-12-11-20(3)10-9-16(12)21(4)17-14-7-5-6-8-15(14)18-13(2)19-17/h12,16H,5-11H2,1-4H3
InChIKeyOLSPTBVZTHWTTF-UHFFFAOYSA-N
XLogP2.44
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 133461721) is N-(1,3-dimethylpiperidin-4-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-(1,3-dimethylpiperidin-4-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-(1,3-dimethylpiperidin-4-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine is Cc1nc2c(c(N(C)C3CCN(C)CC3C)n1)CCCC2.
What is the InChIKey of N-(1,3-dimethylpiperidin-4-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is OLSPTBVZTHWTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-12-11-20(3)10-9-16(12)21(4)17-14-7-5-6-8-15(14)18-13(2)19-17/h12,16H,5-11H2,1-4H3.
What are the key properties of N-(1,3-dimethylpiperidin-4-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
N-(1,3-dimethylpiperidin-4-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 288.44 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpiperidin-4-yl)-N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 133461721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).