2-[[2-(ethylamino)quinazolin-4-yl]amino]-N-methylpropanamide

C14H19N5O — CID 80803173

IUPAC2-[[2-(ethylamino)quinazolin-4-yl]amino]-N-methylpropanamide
SMILESCCNc1nc(NC(C)C(=O)NC)c2ccccc2n1
InChIInChI=1S/C14H19N5O/c1-4-16-14-18-11-8-6-5-7-10(11)12(19-14)17-9(2)13(20)15-3/h5-9H,4H2,1-3H3,(H,15,20)(H2,16,17,18,19)
InChIKeyNMFLIWJRCLZDPK-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.61
Rot. Bonds5

About 2-[[2-(ethylamino)quinazolin-4-yl]amino]-N-methylpropanamide

2-[[2-(ethylamino)quinazolin-4-yl]amino]-N-methylpropanamide (PubChem CID 80803173) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[[2-(ethylamino)quinazolin-4-yl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[2-(ethylamino)quinazolin-4-yl]amino]-N-methylpropanamide
PubChem CID80803173
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[[2-(ethylamino)quinazolin-4-yl]amino]-N-methylpropanamide
SMILESCCNc1nc(NC(C)C(=O)NC)c2ccccc2n1
InChIInChI=1S/C14H19N5O/c1-4-16-14-18-11-8-6-5-7-10(11)12(19-14)17-9(2)13(20)15-3/h5-9H,4H2,1-3H3,(H,15,20)(H2,16,17,18,19)
InChIKeyNMFLIWJRCLZDPK-UHFFFAOYSA-N
XLogP1.61
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)quinazolin-4-yl]amino]-N-methylpropanamide?
The IUPAC name of 2-[[2-(ethylamino)quinazolin-4-yl]amino]-N-methylpropanamide (CID 80803173) is 2-[[2-(ethylamino)quinazolin-4-yl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[2-(ethylamino)quinazolin-4-yl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[[2-(ethylamino)quinazolin-4-yl]amino]-N-methylpropanamide is CCNc1nc(NC(C)C(=O)NC)c2ccccc2n1.
What is the InChIKey of 2-[[2-(ethylamino)quinazolin-4-yl]amino]-N-methylpropanamide?
The InChIKey is NMFLIWJRCLZDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-4-16-14-18-11-8-6-5-7-10(11)12(19-14)17-9(2)13(20)15-3/h5-9H,4H2,1-3H3,(H,15,20)(H2,16,17,18,19).
What are the key properties of 2-[[2-(ethylamino)quinazolin-4-yl]amino]-N-methylpropanamide?
2-[[2-(ethylamino)quinazolin-4-yl]amino]-N-methylpropanamide has a molecular weight of 273.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)quinazolin-4-yl]amino]-N-methylpropanamide is sourced from PubChem (CID 80803173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).