N-cyclopropyl-3-[[2-(methylamino)quinazolin-4-yl]amino]propanamide

C15H19N5O — CID 80835488

IUPACN-cyclopropyl-3-[[2-(methylamino)quinazolin-4-yl]amino]propanamide
SMILESCNc1nc(NCCC(=O)NC2CC2)c2ccccc2n1
InChIInChI=1S/C15H19N5O/c1-16-15-19-12-5-3-2-4-11(12)14(20-15)17-9-8-13(21)18-10-6-7-10/h2-5,10H,6-9H2,1H3,(H,18,21)(H2,16,17,19,20)
InChIKeyVARFLVCVQLVHQS-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.75
Rot. Bonds6

About N-cyclopropyl-3-[[2-(methylamino)quinazolin-4-yl]amino]propanamide

N-cyclopropyl-3-[[2-(methylamino)quinazolin-4-yl]amino]propanamide (PubChem CID 80835488) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-(methylamino)quinazolin-4-yl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-(methylamino)quinazolin-4-yl]amino]propanamide
PubChem CID80835488
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-cyclopropyl-3-[[2-(methylamino)quinazolin-4-yl]amino]propanamide
SMILESCNc1nc(NCCC(=O)NC2CC2)c2ccccc2n1
InChIInChI=1S/C15H19N5O/c1-16-15-19-12-5-3-2-4-11(12)14(20-15)17-9-8-13(21)18-10-6-7-10/h2-5,10H,6-9H2,1H3,(H,18,21)(H2,16,17,19,20)
InChIKeyVARFLVCVQLVHQS-UHFFFAOYSA-N
XLogP1.75
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-(methylamino)quinazolin-4-yl]amino]propanoate
CID 80797515
N-ethyl-2-[[2-(methylamino)quinazolin-4-yl]amino]acetamide
CID 80787683
4-[[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol
CID 80770402
4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine
CID 80783719
3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylpropanamide
CID 80849955
4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine
CID 80826223
4-N-(2-ethoxyethyl)-2-N-methylquinazoline-2,4-diamine
CID 80792753
methyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate
CID 80798366
N-[4-[[4-(methylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(trifluoromethoxy)benzamide;hydrochloride
CID 68847131
N-(4-hydroxycyclohexyl)-4-(quinazolin-4-ylamino)butanamide
CID 110436172
N-cyclopropyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide
CID 106539065
4-N-[2-(furan-2-yl)ethyl]-2-N-methylquinazoline-2,4-diamine
CID 80803693

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-(methylamino)quinazolin-4-yl]amino]propanamide?
The IUPAC name of N-cyclopropyl-3-[[2-(methylamino)quinazolin-4-yl]amino]propanamide (CID 80835488) is N-cyclopropyl-3-[[2-(methylamino)quinazolin-4-yl]amino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-(methylamino)quinazolin-4-yl]amino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[[2-(methylamino)quinazolin-4-yl]amino]propanamide is CNc1nc(NCCC(=O)NC2CC2)c2ccccc2n1.
What is the InChIKey of N-cyclopropyl-3-[[2-(methylamino)quinazolin-4-yl]amino]propanamide?
The InChIKey is VARFLVCVQLVHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-16-15-19-12-5-3-2-4-11(12)14(20-15)17-9-8-13(21)18-10-6-7-10/h2-5,10H,6-9H2,1H3,(H,18,21)(H2,16,17,19,20).
What are the key properties of N-cyclopropyl-3-[[2-(methylamino)quinazolin-4-yl]amino]propanamide?
N-cyclopropyl-3-[[2-(methylamino)quinazolin-4-yl]amino]propanamide has a molecular weight of 285.35 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-(methylamino)quinazolin-4-yl]amino]propanamide is sourced from PubChem (CID 80835488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).