(2S,3S)-2-amino-N-(4,6-dichloropyrimidin-5-yl)-3-methylpentanamide

C10H14Cl2N4O — CID 114074252

IUPAC(2S,3S)-2-amino-N-(4,6-dichloropyrimidin-5-yl)-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1c(Cl)ncnc1Cl
InChIInChI=1S/C10H14Cl2N4O/c1-3-5(2)6(13)10(17)16-7-8(11)14-4-15-9(7)12/h4-6H,3,13H2,1-2H3,(H,16,17)/t5-,6-/m0/s1
InChIKeySMWTUTAHDMKYJF-WDSKDSINSA-N
MW277.16 g/mol
LogP2.10
Rot. Bonds4

About (2S,3S)-2-amino-N-(4,6-dichloropyrimidin-5-yl)-3-methylpentanamide

(2S,3S)-2-amino-N-(4,6-dichloropyrimidin-5-yl)-3-methylpentanamide (PubChem CID 114074252) has the molecular formula C10H14Cl2N4O and a molecular weight of 277.16 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-(4,6-dichloropyrimidin-5-yl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-(4,6-dichloropyrimidin-5-yl)-3-methylpentanamide
PubChem CID114074252
Molecular FormulaC10H14Cl2N4O
Molecular Weight277.16 g/mol
Exact Mass276.05
IUPAC Name(2S,3S)-2-amino-N-(4,6-dichloropyrimidin-5-yl)-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1c(Cl)ncnc1Cl
InChIInChI=1S/C10H14Cl2N4O/c1-3-5(2)6(13)10(17)16-7-8(11)14-4-15-9(7)12/h4-6H,3,13H2,1-2H3,(H,16,17)/t5-,6-/m0/s1
InChIKeySMWTUTAHDMKYJF-WDSKDSINSA-N
XLogP2.10
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-methyl-N-(2,4,6-trichlorophenyl)pentanamide
CID 61173513
(2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide
CID 42314535
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
2,2-dichloro-N-(4,6-dichloropyrimidin-5-yl)acetamide
CID 127052985
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
(2S)-2-amino-N-[2,6-di(propan-2-yl)phenyl]-3-methylpentanamide
CID 22690911
(2S,3S)-2-amino-3-methyl-N-pyrimidin-4-ylpentanamide
CID 110837827
2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide
CID 76892276
(2S,3S)-2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide
CID 61148599
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096
(2R,3R)-2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpentanamide
CID 93240679
2-amino-N-(4-chloro-6-methoxypyrimidin-2-yl)-3-methylpentanamide
CID 114052886

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-(4,6-dichloropyrimidin-5-yl)-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-(4,6-dichloropyrimidin-5-yl)-3-methylpentanamide (CID 114074252) is (2S,3S)-2-amino-N-(4,6-dichloropyrimidin-5-yl)-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-(4,6-dichloropyrimidin-5-yl)-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-(4,6-dichloropyrimidin-5-yl)-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)Nc1c(Cl)ncnc1Cl.
What is the InChIKey of (2S,3S)-2-amino-N-(4,6-dichloropyrimidin-5-yl)-3-methylpentanamide?
The InChIKey is SMWTUTAHDMKYJF-WDSKDSINSA-N. The full InChI is InChI=1S/C10H14Cl2N4O/c1-3-5(2)6(13)10(17)16-7-8(11)14-4-15-9(7)12/h4-6H,3,13H2,1-2H3,(H,16,17)/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-(4,6-dichloropyrimidin-5-yl)-3-methylpentanamide?
(2S,3S)-2-amino-N-(4,6-dichloropyrimidin-5-yl)-3-methylpentanamide has a molecular weight of 277.16 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-(4,6-dichloropyrimidin-5-yl)-3-methylpentanamide is sourced from PubChem (CID 114074252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).