N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide

C12H18N4O2 — CID 113313381

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide
SMILESCN(CC(=O)NCC1(CO)CC1)c1ncccn1
InChIInChI=1S/C12H18N4O2/c1-16(11-13-5-2-6-14-11)7-10(18)15-8-12(9-17)3-4-12/h2,5-6,17H,3-4,7-9H2,1H3,(H,15,18)
InChIKeyGOTQOOOONOVVBZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.20
Rot. Bonds6

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide (PubChem CID 113313381) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide
PubChem CID113313381
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide
SMILESCN(CC(=O)NCC1(CO)CC1)c1ncccn1
InChIInChI=1S/C12H18N4O2/c1-16(11-13-5-2-6-14-11)7-10(18)15-8-12(9-17)3-4-12/h2,5-6,17H,3-4,7-9H2,1H3,(H,15,18)
InChIKeyGOTQOOOONOVVBZ-UHFFFAOYSA-N
XLogP-0.20
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxypropyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 43500389
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 80717220
2-methyl-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanoic acid
CID 62675666
2-[2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]ethoxy]acetic acid
CID 79457446
2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112699817
N-[(2S)-2-hydroxypropyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 83057842
2-hydroxy-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanamide
CID 106164955
6-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]hexanoic acid
CID 43352886
[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 55640954
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea
CID 79461046
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)urea
CID 111573294
methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 60660073

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide (CID 113313381) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide is CN(CC(=O)NCC1(CO)CC1)c1ncccn1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide?
The InChIKey is GOTQOOOONOVVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-16(11-13-5-2-6-14-11)7-10(18)15-8-12(9-17)3-4-12/h2,5-6,17H,3-4,7-9H2,1H3,(H,15,18).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide has a molecular weight of 250.30 g/mol, XLogP of -0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide is sourced from PubChem (CID 113313381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).