2-[[4-(methylamino)quinazolin-2-yl]amino]pentanoic acid

C14H18N4O2 — CID 122060479

IUPAC2-[[4-(methylamino)quinazolin-2-yl]amino]pentanoic acid
SMILESCCCC(Nc1nc(NC)c2ccccc2n1)C(=O)O
InChIInChI=1S/C14H18N4O2/c1-3-6-11(13(19)20)17-14-16-10-8-5-4-7-9(10)12(15-2)18-14/h4-5,7-8,11H,3,6H2,1-2H3,(H,19,20)(H2,15,16,17,18)
InChIKeySWSADSKFCIKFTK-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.34
Rot. Bonds6

About 2-[[4-(methylamino)quinazolin-2-yl]amino]pentanoic acid

2-[[4-(methylamino)quinazolin-2-yl]amino]pentanoic acid (PubChem CID 122060479) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[[4-(methylamino)quinazolin-2-yl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[4-(methylamino)quinazolin-2-yl]amino]pentanoic acid
PubChem CID122060479
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[[4-(methylamino)quinazolin-2-yl]amino]pentanoic acid
SMILESCCCC(Nc1nc(NC)c2ccccc2n1)C(=O)O
InChIInChI=1S/C14H18N4O2/c1-3-6-11(13(19)20)17-14-16-10-8-5-4-7-9(10)12(15-2)18-14/h4-5,7-8,11H,3,6H2,1-2H3,(H,19,20)(H2,15,16,17,18)
InChIKeySWSADSKFCIKFTK-UHFFFAOYSA-N
XLogP2.34
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chloroquinazolin-4-yl)amino]pentanoic acid
CID 22693080
2-(quinazolin-4-ylamino)pentanoic acid
CID 3356607
4-N-methyl-2-N-propan-2-ylquinazoline-2,4-diamine
CID 90676298
2-[(2-methylquinolin-4-yl)amino]pentanoic acid
CID 43631351
2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]pentanoic acid
CID 21004110
2-methylbut-3-enoic acid;N-methyl-2-phenylquinazolin-4-amine;pentane
CID 142126192
2-[(4-carbamoylquinolin-2-yl)amino]pentanoic acid
CID 63886576
2-[(4-methylphthalazin-1-yl)amino]pentanoic acid
CID 43631341
(2S)-2-anilinopentanoic acid
CID 22847649
N-ethyl-2-[[2-(methylamino)quinazolin-4-yl]amino]acetamide
CID 80787683
2-(1,2,4-benzotriazin-3-ylamino)butanoic acid
CID 103203706
2-N-ethyl-4-N-pentan-2-ylquinazoline-2,4-diamine
CID 80770804

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methylamino)quinazolin-2-yl]amino]pentanoic acid?
The IUPAC name of 2-[[4-(methylamino)quinazolin-2-yl]amino]pentanoic acid (CID 122060479) is 2-[[4-(methylamino)quinazolin-2-yl]amino]pentanoic acid.
What is the SMILES notation for 2-[[4-(methylamino)quinazolin-2-yl]amino]pentanoic acid?
The canonical SMILES for 2-[[4-(methylamino)quinazolin-2-yl]amino]pentanoic acid is CCCC(Nc1nc(NC)c2ccccc2n1)C(=O)O.
What is the InChIKey of 2-[[4-(methylamino)quinazolin-2-yl]amino]pentanoic acid?
The InChIKey is SWSADSKFCIKFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-6-11(13(19)20)17-14-16-10-8-5-4-7-9(10)12(15-2)18-14/h4-5,7-8,11H,3,6H2,1-2H3,(H,19,20)(H2,15,16,17,18).
What are the key properties of 2-[[4-(methylamino)quinazolin-2-yl]amino]pentanoic acid?
2-[[4-(methylamino)quinazolin-2-yl]amino]pentanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methylamino)quinazolin-2-yl]amino]pentanoic acid is sourced from PubChem (CID 122060479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).