(2S)-2-hydroxy-3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propanamide

C12H18N4O2 — CID 164636600

IUPAC(2S)-2-hydroxy-3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propanamide
SMILESCc1nc2c(c(NC[C@H](O)C(N)=O)n1)CCCC2
InChIInChI=1S/C12H18N4O2/c1-7-15-9-5-3-2-4-8(9)12(16-7)14-6-10(17)11(13)18/h10,17H,2-6H2,1H3,(H2,13,18)(H,14,15,16)/t10-/m0/s1
InChIKeyLUROBKIXYKXZEB-JTQLQIEISA-N
MW250.30 g/mol
LogP-0.08
Rot. Bonds4

About (2S)-2-hydroxy-3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propanamide

(2S)-2-hydroxy-3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propanamide (PubChem CID 164636600) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propanamide
PubChem CID164636600
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(2S)-2-hydroxy-3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propanamide
SMILESCc1nc2c(c(NC[C@H](O)C(N)=O)n1)CCCC2
InChIInChI=1S/C12H18N4O2/c1-7-15-9-5-3-2-4-8(9)12(16-7)14-6-10(17)11(13)18/h10,17H,2-6H2,1H3,(H2,13,18)(H,14,15,16)/t10-/m0/s1
InChIKeyLUROBKIXYKXZEB-JTQLQIEISA-N
XLogP-0.08
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propanamide?
The IUPAC name of (2S)-2-hydroxy-3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propanamide (CID 164636600) is (2S)-2-hydroxy-3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propanamide.
What is the SMILES notation for (2S)-2-hydroxy-3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propanamide?
The canonical SMILES for (2S)-2-hydroxy-3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propanamide is Cc1nc2c(c(NC[C@H](O)C(N)=O)n1)CCCC2.
What is the InChIKey of (2S)-2-hydroxy-3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propanamide?
The InChIKey is LUROBKIXYKXZEB-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N4O2/c1-7-15-9-5-3-2-4-8(9)12(16-7)14-6-10(17)11(13)18/h10,17H,2-6H2,1H3,(H2,13,18)(H,14,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propanamide?
(2S)-2-hydroxy-3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propanamide has a molecular weight of 250.30 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propanamide is sourced from PubChem (CID 164636600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).