N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]cyclopropanecarboxamide

C14H20N4O — CID 45230277

IUPACN-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]cyclopropanecarboxamide
SMILESCN(C)c1ncc2c(n1)CCCC2NC(=O)C1CC1
InChIInChI=1S/C14H20N4O/c1-18(2)14-15-8-10-11(4-3-5-12(10)17-14)16-13(19)9-6-7-9/h8-9,11H,3-7H2,1-2H3,(H,16,19)
InChIKeyXKMOMMVBUOBXNA-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.45
Rot. Bonds3

About N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]cyclopropanecarboxamide

N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]cyclopropanecarboxamide (PubChem CID 45230277) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]cyclopropanecarboxamide
PubChem CID45230277
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]cyclopropanecarboxamide
SMILESCN(C)c1ncc2c(n1)CCCC2NC(=O)C1CC1
InChIInChI=1S/C14H20N4O/c1-18(2)14-15-8-10-11(4-3-5-12(10)17-14)16-13(19)9-6-7-9/h8-9,11H,3-7H2,1-2H3,(H,16,19)
InChIKeyXKMOMMVBUOBXNA-UHFFFAOYSA-N
XLogP1.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]cyclopropanecarboxamide (CID 45230277) is N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]cyclopropanecarboxamide is CN(C)c1ncc2c(n1)CCCC2NC(=O)C1CC1.
What is the InChIKey of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]cyclopropanecarboxamide?
The InChIKey is XKMOMMVBUOBXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-18(2)14-15-8-10-11(4-3-5-12(10)17-14)16-13(19)9-6-7-9/h8-9,11H,3-7H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]cyclopropanecarboxamide?
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]cyclopropanecarboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 45230277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).