tert-butyl N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)carbamate

C11H21N3O2 — CID 123712642

IUPACtert-butyl N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)carbamate
SMILESCC1(C)CN=C(NC(=O)OC(C)(C)C)NC1
InChIInChI=1S/C11H21N3O2/c1-10(2,3)16-9(15)14-8-12-6-11(4,5)7-13-8/h6-7H2,1-5H3,(H2,12,13,14,15)
InChIKeyDMOVZUHXXRCXAH-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.50
Rot. Bonds

About tert-butyl N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)carbamate

tert-butyl N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)carbamate (PubChem CID 123712642) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is tert-butyl N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)carbamate
PubChem CID123712642
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Nametert-butyl N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)carbamate
SMILESCC1(C)CN=C(NC(=O)OC(C)(C)C)NC1
InChIInChI=1S/C11H21N3O2/c1-10(2,3)16-9(15)14-8-12-6-11(4,5)7-13-8/h6-7H2,1-5H3,(H2,12,13,14,15)
InChIKeyDMOVZUHXXRCXAH-UHFFFAOYSA-N
XLogP1.50
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(1,4,5,6-tetrahydropyrimidin-2-yl)carbamate
CID 10512203
tert-butyl 2-amino-5,6-dihydropyrimidine-1(4H)-carboxylate
CID 45089505
tert-butyl N-[N'-methyl-N-(2-oxopropyl)carbamimidoyl]carbamate
CID 58434529
tert-butyl N-(4-amino-1-methyl-6-oxo-4,5-dihydropyrimidin-2-yl)carbamate
CID 143378144
tert-butyl N-(N'-methyl-N-propylcarbamimidoyl)carbamate
CID 156082859
tert-butyl N-(N,N'-dimethyl-N-propylcarbamimidoyl)carbamate
CID 164116763
tert-butyl N-(N-butyl-N'-methylcarbamimidoyl)carbamate
CID 167252121
tert-butyl N-[N-methyl-N'-[(2-methylpropan-2-yl)oxycarbonyl]-N-propylcarbamimidoyl]carbamate
CID 173901968
tert-butyl N-[[ethyl(methyl)amino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
CID 174023705
tert-butyl N-[[butyl(methyl)amino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
CID 174023794
tert-butyl (NE)-N-[diethylamino-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
CID 11099097
tert-butyl (NZ)-N-[diethylamino-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
CID 15284356

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)carbamate?
The IUPAC name of tert-butyl N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)carbamate (CID 123712642) is tert-butyl N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)carbamate is CC1(C)CN=C(NC(=O)OC(C)(C)C)NC1.
What is the InChIKey of tert-butyl N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)carbamate?
The InChIKey is DMOVZUHXXRCXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-10(2,3)16-9(15)14-8-12-6-11(4,5)7-13-8/h6-7H2,1-5H3,(H2,12,13,14,15).
What are the key properties of tert-butyl N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)carbamate?
tert-butyl N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)carbamate has a molecular weight of 227.31 g/mol, XLogP of 1.50, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)carbamate is sourced from PubChem (CID 123712642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).