tert-butyl N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]carbamate

C14H22N4O3 — CID 136977515

IUPACtert-butyl N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H22N4O3/c1-14(2,3)21-13(20)16-7-6-15-10-8-11(19)18-12(17-10)9-4-5-9/h8-9H,4-7H2,1-3H3,(H,16,20)(H2,15,17,18,19)
InChIKeyJYUNPTDPTJRKKU-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.58
Rot. Bonds5

About tert-butyl N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]carbamate

tert-butyl N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]carbamate (PubChem CID 136977515) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]carbamate
PubChem CID136977515
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Nametert-butyl N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C14H22N4O3/c1-14(2,3)21-13(20)16-7-6-15-10-8-11(19)18-12(17-10)9-4-5-9/h8-9H,4-7H2,1-3H3,(H,16,20)(H2,15,17,18,19)
InChIKeyJYUNPTDPTJRKKU-UHFFFAOYSA-N
XLogP1.58
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817
2-cyclopropyl-4-[2-(ethylamino)ethylamino]-1H-pyrimidin-6-one
CID 136977841
4-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974135
5-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958938
4-(5-aminopentylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136689846
tert-butyl N-[3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propyl]carbamate
CID 136900907
tert-butyl N-[3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propyl]carbamate
CID 103880075
4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973893
2-cyclopropyl-4-(4-propan-2-yloxybutylamino)-1H-pyrimidin-6-one
CID 136883380
2-cyclopropyl-4-[[2-(dimethylamino)-2-methylpropyl]amino]-1H-pyrimidin-6-one
CID 136975056
4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136974636
2-cyclopropyl-4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one
CID 137016082

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]carbamate (CID 136977515) is tert-butyl N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of tert-butyl N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]carbamate?
The InChIKey is JYUNPTDPTJRKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-14(2,3)21-13(20)16-7-6-15-10-8-11(19)18-12(17-10)9-4-5-9/h8-9H,4-7H2,1-3H3,(H,16,20)(H2,15,17,18,19).
What are the key properties of tert-butyl N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]carbamate?
tert-butyl N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]carbamate has a molecular weight of 294.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]carbamate is sourced from PubChem (CID 136977515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).