(2R)-2-amino-3-methyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]butanamide;hydrochloride

C12H22ClN5O2 — CID 154901897

IUPAC(2R)-2-amino-3-methyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]butanamide;hydrochloride
SMILESCc1cc(=O)[nH]c(NCCNC(=O)[C@H](N)C(C)C)n1.Cl
InChIInChI=1S/C12H21N5O2.ClH/c1-7(2)10(13)11(19)14-4-5-15-12-16-8(3)6-9(18)17-12;/h6-7,10H,4-5,13H2,1-3H3,(H,14,19)(H2,15,16,17,18);1H/t10-;/m1./s1
InChIKeySIZDJASMIBLSKL-HNCPQSOCSA-N
MW303.79 g/mol
LogP0.01
Rot. Bonds6

About (2R)-2-amino-3-methyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]butanamide;hydrochloride

(2R)-2-amino-3-methyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]butanamide;hydrochloride (PubChem CID 154901897) has the molecular formula C12H22ClN5O2 and a molecular weight of 303.79 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]butanamide;hydrochloride
PubChem CID154901897
Molecular FormulaC12H22ClN5O2
Molecular Weight303.79 g/mol
Exact Mass303.15
IUPAC Name(2R)-2-amino-3-methyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]butanamide;hydrochloride
SMILESCc1cc(=O)[nH]c(NCCNC(=O)[C@H](N)C(C)C)n1.Cl
InChIInChI=1S/C12H21N5O2.ClH/c1-7(2)10(13)11(19)14-4-5-15-12-16-8(3)6-9(18)17-12;/h6-7,10H,4-5,13H2,1-3H3,(H,14,19)(H2,15,16,17,18);1H/t10-;/m1./s1
InChIKeySIZDJASMIBLSKL-HNCPQSOCSA-N
XLogP0.01
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-2-amino-3-methyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]butanamide;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-amino-3-methyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]butanamide
CID 136662261
2-hydroxy-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-4-methylsulfanylbutanamide
CID 136665349
(2R)-2-hydroxy-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-4-methylsulfanylbutanamide
CID 136864153
3-(azocan-1-yl)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]propanamide
CID 136665226
(1R)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]cyclohex-3-ene-1-carboxamide
CID 136782473
2-(ethylamino)-4-methyl-1H-pyrimidin-6-one
CID 135840406
2-[2-(dimethylamino)ethylamino]-4-methyl-1H-pyrimidin-6-one
CID 135462793
1-[2-(1-adamantyl)propan-2-yl]-3-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]urea
CID 137001785
2-methyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 136662000
cis-(1S,2R)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 136664918
[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]methyl 2-methylpropanoate
CID 135965731
(2S)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 136756310

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]butanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-3-methyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]butanamide;hydrochloride (CID 154901897) is (2R)-2-amino-3-methyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]butanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]butanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-3-methyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]butanamide;hydrochloride is Cc1cc(=O)[nH]c(NCCNC(=O)[C@H](N)C(C)C)n1.Cl.
What is the InChIKey of (2R)-2-amino-3-methyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]butanamide;hydrochloride?
The InChIKey is SIZDJASMIBLSKL-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H21N5O2.ClH/c1-7(2)10(13)11(19)14-4-5-15-12-16-8(3)6-9(18)17-12;/h6-7,10H,4-5,13H2,1-3H3,(H,14,19)(H2,15,16,17,18);1H/t10-;/m1./s1.
What are the key properties of (2R)-2-amino-3-methyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]butanamide;hydrochloride?
(2R)-2-amino-3-methyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]butanamide;hydrochloride has a molecular weight of 303.79 g/mol, XLogP of 0.01, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]butanamide;hydrochloride is sourced from PubChem (CID 154901897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).