tert-butyl N-(1,4,5,6-tetrahydropyrimidin-2-yl)carbamate

C9H17N3O2 — CID 10512203

IUPACtert-butyl N-(1,4,5,6-tetrahydropyrimidin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1=NCCCN1
InChIInChI=1S/C9H17N3O2/c1-9(2,3)14-8(13)12-7-10-5-4-6-11-7/h4-6H2,1-3H3,(H2,10,11,12,13)
InChIKeyWEIPUBZGXCESFS-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.86
Rot. Bonds

About tert-butyl N-(1,4,5,6-tetrahydropyrimidin-2-yl)carbamate

tert-butyl N-(1,4,5,6-tetrahydropyrimidin-2-yl)carbamate (PubChem CID 10512203) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is tert-butyl N-(1,4,5,6-tetrahydropyrimidin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,4,5,6-tetrahydropyrimidin-2-yl)carbamate
PubChem CID10512203
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Nametert-butyl N-(1,4,5,6-tetrahydropyrimidin-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1=NCCCN1
InChIInChI=1S/C9H17N3O2/c1-9(2,3)14-8(13)12-7-10-5-4-6-11-7/h4-6H2,1-3H3,(H2,10,11,12,13)
InChIKeyWEIPUBZGXCESFS-UHFFFAOYSA-N
XLogP0.86
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(imidazolidin-2-ylidene)carbamate
CID 102036146
Carbamic acid, N,N inverted exclamation marka-[(3-aminopropyl)carbonimidoyl]bis-, C,C inverted exclamation marka-bis(1,1-dimethylethyl) ester
CID 10519491
tert-butyl 2-amino-5,6-dihydropyrimidine-1(4H)-carboxylate
CID 45089505
tert-butyl (NE)-N-[amino-(2-methylpropylcarbamoylamino)methylidene]carbamate
CID 11694555
t-Butyl 2-(t-butylamino)-5,6-dihydropyrimidine-1(4h)-carboxylate
CID 169502401
N-(3-Aminopropyl)-N'-tert-butoxycarbonyl guanidine
CID 15308298
tert-butyl N-[3-(4,5-dihydro-1H-imidazol-2-ylamino)propyl]carbamate
CID 22594321
ethyl N-(1,4,5,6-tetrahydropyrimidin-2-yl)carbamate
CID 23338144
tert-butyl N-[N'-methyl-N-(2-oxopropyl)carbamimidoyl]carbamate
CID 58434529
tert-butyl N-(3-aminopropyl)-N-[N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 87528498
tert-butyl N-[[4-aminobutyl(methyl)amino]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
CID 88163358
tert-butyl N-(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)carbamate
CID 123712642

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,4,5,6-tetrahydropyrimidin-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1,4,5,6-tetrahydropyrimidin-2-yl)carbamate (CID 10512203) is tert-butyl N-(1,4,5,6-tetrahydropyrimidin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1,4,5,6-tetrahydropyrimidin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1,4,5,6-tetrahydropyrimidin-2-yl)carbamate is CC(C)(C)OC(=O)NC1=NCCCN1.
What is the InChIKey of tert-butyl N-(1,4,5,6-tetrahydropyrimidin-2-yl)carbamate?
The InChIKey is WEIPUBZGXCESFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-9(2,3)14-8(13)12-7-10-5-4-6-11-7/h4-6H2,1-3H3,(H2,10,11,12,13).
What are the key properties of tert-butyl N-(1,4,5,6-tetrahydropyrimidin-2-yl)carbamate?
tert-butyl N-(1,4,5,6-tetrahydropyrimidin-2-yl)carbamate has a molecular weight of 199.25 g/mol, XLogP of 0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,4,5,6-tetrahydropyrimidin-2-yl)carbamate is sourced from PubChem (CID 10512203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).