N-(4-hydroxypentan-2-yl)-2-[methyl(pyrimidin-2-yl)amino]acetamide

C12H20N4O2 — CID 113376515

IUPACN-(4-hydroxypentan-2-yl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
SMILESCC(O)CC(C)NC(=O)CN(C)c1ncccn1
InChIInChI=1S/C12H20N4O2/c1-9(7-10(2)17)15-11(18)8-16(3)12-13-5-4-6-14-12/h4-6,9-10,17H,7-8H2,1-3H3,(H,15,18)
InChIKeyMNCQOCQRVSJXDU-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.19
Rot. Bonds6

About N-(4-hydroxypentan-2-yl)-2-[methyl(pyrimidin-2-yl)amino]acetamide

N-(4-hydroxypentan-2-yl)-2-[methyl(pyrimidin-2-yl)amino]acetamide (PubChem CID 113376515) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(4-hydroxypentan-2-yl)-2-[methyl(pyrimidin-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-hydroxypentan-2-yl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
PubChem CID113376515
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-(4-hydroxypentan-2-yl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
SMILESCC(O)CC(C)NC(=O)CN(C)c1ncccn1
InChIInChI=1S/C12H20N4O2/c1-9(7-10(2)17)15-11(18)8-16(3)12-13-5-4-6-14-12/h4-6,9-10,17H,7-8H2,1-3H3,(H,15,18)
InChIKeyMNCQOCQRVSJXDU-UHFFFAOYSA-N
XLogP0.19
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-hydroxypropyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 83057842
2-methyl-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanoic acid
CID 62675666
2-hydroxy-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanamide
CID 106164955
methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 60660073
N-[(2-methylpropan-2-yl)oxy]-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 82723385
N-(3-hydroxypropyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 43500389
2-[(4-aminopyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 115978164
2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]oxyacetic acid
CID 63931363
2-[(4-carbamothioylpyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 107547064
2-[methyl(pyrazin-2-yl)amino]-N-propan-2-ylacetamide
CID 39877236
2-anilino-N-(4-hydroxypentan-2-yl)acetamide
CID 113376266
[2-(2-methylpropylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 43063495

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentan-2-yl)-2-[methyl(pyrimidin-2-yl)amino]acetamide?
The IUPAC name of N-(4-hydroxypentan-2-yl)-2-[methyl(pyrimidin-2-yl)amino]acetamide (CID 113376515) is N-(4-hydroxypentan-2-yl)-2-[methyl(pyrimidin-2-yl)amino]acetamide.
What is the SMILES notation for N-(4-hydroxypentan-2-yl)-2-[methyl(pyrimidin-2-yl)amino]acetamide?
The canonical SMILES for N-(4-hydroxypentan-2-yl)-2-[methyl(pyrimidin-2-yl)amino]acetamide is CC(O)CC(C)NC(=O)CN(C)c1ncccn1.
What is the InChIKey of N-(4-hydroxypentan-2-yl)-2-[methyl(pyrimidin-2-yl)amino]acetamide?
The InChIKey is MNCQOCQRVSJXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9(7-10(2)17)15-11(18)8-16(3)12-13-5-4-6-14-12/h4-6,9-10,17H,7-8H2,1-3H3,(H,15,18).
What are the key properties of N-(4-hydroxypentan-2-yl)-2-[methyl(pyrimidin-2-yl)amino]acetamide?
N-(4-hydroxypentan-2-yl)-2-[methyl(pyrimidin-2-yl)amino]acetamide has a molecular weight of 252.32 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentan-2-yl)-2-[methyl(pyrimidin-2-yl)amino]acetamide is sourced from PubChem (CID 113376515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).