(2,2-dimethyl-1-pyrimidin-2-ylpropyl) carbamate

C10H15N3O2 — CID 175600626

IUPAC(2,2-dimethyl-1-pyrimidin-2-ylpropyl) carbamate
SMILESCC(C)(C)C(OC(N)=O)c1ncccn1
InChIInChI=1S/C10H15N3O2/c1-10(2,3)7(15-9(11)14)8-12-5-4-6-13-8/h4-7H,1-3H3,(H2,11,14)
InChIKeyFNLKIVSTSMBMON-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.66
Rot. Bonds2

About (2,2-dimethyl-1-pyrimidin-2-ylpropyl) carbamate

(2,2-dimethyl-1-pyrimidin-2-ylpropyl) carbamate (PubChem CID 175600626) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is (2,2-dimethyl-1-pyrimidin-2-ylpropyl) carbamate.

Molecular Properties

Compound Name(2,2-dimethyl-1-pyrimidin-2-ylpropyl) carbamate
PubChem CID175600626
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name(2,2-dimethyl-1-pyrimidin-2-ylpropyl) carbamate
SMILESCC(C)(C)C(OC(N)=O)c1ncccn1
InChIInChI=1S/C10H15N3O2/c1-10(2,3)7(15-9(11)14)8-12-5-4-6-13-8/h4-7H,1-3H3,(H2,11,14)
InChIKeyFNLKIVSTSMBMON-UHFFFAOYSA-N
XLogP1.66
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1H-imidazol-2-yl)-2,2-dimethylpropyl] carbamate
CID 175546665
[2,2-dimethyl-1-(1-oxidopyridin-1-ium-4-yl)propyl] carbamate
CID 151152151
3-pyrimidin-2-ylbutan-2-one
CID 63197013
(1-carbamoyloxy-3-hydroxy-2,2-dimethylpropyl) carbamate
CID 161039387
2-methyl-2-pyrimidin-2-ylpropanamide
CID 67050228
2-pyridin-2-ylpropan-2-yl carbamate
CID 67418657
tert-butyl 2-pyrimidin-2-ylsulfanylpropanoate
CID 64688515
propan-2-yl N-methyl-N-(pyrimidin-2-ylmethyl)carbamate
CID 177326284
[pyridin-2-yl(sulfanyl)methyl] carbamate;hydrochloride
CID 3021537
tert-butyl N-(2,3-dihydroxy-3-pyrimidin-2-ylpropyl)carbamate
CID 170831522
(1-fluoro-1-pyridin-2-ylethyl) carbamate
CID 66697846
[1-(4-aminophenyl)-3,3-dimethylbutan-2-yl] carbamate
CID 67217930

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1-pyrimidin-2-ylpropyl) carbamate?
The IUPAC name of (2,2-dimethyl-1-pyrimidin-2-ylpropyl) carbamate (CID 175600626) is (2,2-dimethyl-1-pyrimidin-2-ylpropyl) carbamate.
What is the SMILES notation for (2,2-dimethyl-1-pyrimidin-2-ylpropyl) carbamate?
The canonical SMILES for (2,2-dimethyl-1-pyrimidin-2-ylpropyl) carbamate is CC(C)(C)C(OC(N)=O)c1ncccn1.
What is the InChIKey of (2,2-dimethyl-1-pyrimidin-2-ylpropyl) carbamate?
The InChIKey is FNLKIVSTSMBMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-10(2,3)7(15-9(11)14)8-12-5-4-6-13-8/h4-7H,1-3H3,(H2,11,14).
What are the key properties of (2,2-dimethyl-1-pyrimidin-2-ylpropyl) carbamate?
(2,2-dimethyl-1-pyrimidin-2-ylpropyl) carbamate has a molecular weight of 209.25 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1-pyrimidin-2-ylpropyl) carbamate is sourced from PubChem (CID 175600626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).