(2R)-2-[[4-(2-hydroxyethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid

C14H26N6O3 — CID 122049264

IUPAC(2R)-2-[[4-(2-hydroxyethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](Nc1nc(NCCO)nc(NC(C)C)n1)C(=O)O
InChIInChI=1S/C14H26N6O3/c1-8(2)7-10(11(22)23)17-14-19-12(15-5-6-21)18-13(20-14)16-9(3)4/h8-10,21H,5-7H2,1-4H3,(H,22,23)(H3,15,16,17,18,19,20)/t10-/m1/s1
InChIKeyYWJRTHKQXXFGIV-SNVBAGLBSA-N
MW326.40 g/mol
LogP1.01
Rot. Bonds10

About (2R)-2-[[4-(2-hydroxyethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid

(2R)-2-[[4-(2-hydroxyethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid (PubChem CID 122049264) has the molecular formula C14H26N6O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2R)-2-[[4-(2-hydroxyethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(2-hydroxyethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid
PubChem CID122049264
Molecular FormulaC14H26N6O3
Molecular Weight326.40 g/mol
Exact Mass326.21
IUPAC Name(2R)-2-[[4-(2-hydroxyethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](Nc1nc(NCCO)nc(NC(C)C)n1)C(=O)O
InChIInChI=1S/C14H26N6O3/c1-8(2)7-10(11(22)23)17-14-19-12(15-5-6-21)18-13(20-14)16-9(3)4/h8-10,21H,5-7H2,1-4H3,(H,22,23)(H3,15,16,17,18,19,20)/t10-/m1/s1
InChIKeyYWJRTHKQXXFGIV-SNVBAGLBSA-N
XLogP1.01
TPSA132.29 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze (2R)-2-[[4-(2-hydroxyethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[4-(2-hydroxyethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-3-phenylpropanoic acid
CID 122049495
2-[[4-(2-aminoethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 23872852
2-[[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid
CID 122062545
(2S)-4-methyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid
CID 122050104
(2R)-2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-4-methylpentanoic acid
CID 122049258
N-[4-(propan-2-ylamino)-6-(propylamino)-1,3,5-triazin-2-yl]hydroxylamine
CID 90175544
(2S)-2-[[4-[2-[2-(2-benzamidoethoxy)ethoxy]ethylamino]-6-(1,3-benzodioxol-5-ylmethylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid
CID 23929009
2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 58763740
4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 64584680
(2R)-2-acetamido-3-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]propanoic acid;hydrochloride
CID 71434135
(2S)-2-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]-4-methylpentanoic acid
CID 122050089
(2S)-2-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-4-methylpentanoic acid
CID 122050014

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(2-hydroxyethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[4-(2-hydroxyethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid (CID 122049264) is (2R)-2-[[4-(2-hydroxyethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[4-(2-hydroxyethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[4-(2-hydroxyethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid is CC(C)C[C@@H](Nc1nc(NCCO)nc(NC(C)C)n1)C(=O)O.
What is the InChIKey of (2R)-2-[[4-(2-hydroxyethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid?
The InChIKey is YWJRTHKQXXFGIV-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H26N6O3/c1-8(2)7-10(11(22)23)17-14-19-12(15-5-6-21)18-13(20-14)16-9(3)4/h8-10,21H,5-7H2,1-4H3,(H,22,23)(H3,15,16,17,18,19,20)/t10-/m1/s1.
What are the key properties of (2R)-2-[[4-(2-hydroxyethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid?
(2R)-2-[[4-(2-hydroxyethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid has a molecular weight of 326.40 g/mol, XLogP of 1.01, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(2-hydroxyethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 122049264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).