tert-butyl N-[[4-(diethylamino)pyrimidin-2-yl]amino]carbamate

C13H23N5O2 — CID 124908621

IUPACtert-butyl N-[[4-(diethylamino)pyrimidin-2-yl]amino]carbamate
SMILESCCN(CC)c1ccnc(NNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C13H23N5O2/c1-6-18(7-2)10-8-9-14-11(15-10)16-17-12(19)20-13(3,4)5/h8-9H,6-7H2,1-5H3,(H,17,19)(H,14,15,16)
InChIKeyRJWDQCRTWFIFSN-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.17
Rot. Bonds5

About tert-butyl N-[[4-(diethylamino)pyrimidin-2-yl]amino]carbamate

tert-butyl N-[[4-(diethylamino)pyrimidin-2-yl]amino]carbamate (PubChem CID 124908621) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is tert-butyl N-[[4-(diethylamino)pyrimidin-2-yl]amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(diethylamino)pyrimidin-2-yl]amino]carbamate
PubChem CID124908621
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Nametert-butyl N-[[4-(diethylamino)pyrimidin-2-yl]amino]carbamate
SMILESCCN(CC)c1ccnc(NNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C13H23N5O2/c1-6-18(7-2)10-8-9-14-11(15-10)16-17-12(19)20-13(3,4)5/h8-9H,6-7H2,1-5H3,(H,17,19)(H,14,15,16)
InChIKeyRJWDQCRTWFIFSN-UHFFFAOYSA-N
XLogP2.17
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N,4-N,4-N-triethylpyrimidine-2,4-diamine
CID 80766535
N-[4-[[4-(diethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112899132
2-[ethyl-(2-hydrazinylpyrimidin-4-yl)amino]-N-methylacetamide
CID 80896435
N-ethyl-2-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80805066
tert-butyl N-[3-[(4-ethoxypyrimidin-2-yl)amino]propyl]carbamate
CID 114518116
tert-butyl N-[4-(hydroxymethyl)pyrimidin-2-yl]carbamate
CID 83854419
4-N,4-N-diethyl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895475
4-N,4-N-diethyl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889893
4-N-ethyl-2-N-methyl-4-N-propylpyrimidine-2,4-diamine
CID 80775087
2-[ethyl-(2-methoxycarbonylpyrimidin-4-yl)amino]acetic acid
CID 66287387
tert-butyl N-(4-acetylpyrimidin-2-yl)carbamate
CID 11075458
3-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 113469264

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(diethylamino)pyrimidin-2-yl]amino]carbamate?
The IUPAC name of tert-butyl N-[[4-(diethylamino)pyrimidin-2-yl]amino]carbamate (CID 124908621) is tert-butyl N-[[4-(diethylamino)pyrimidin-2-yl]amino]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(diethylamino)pyrimidin-2-yl]amino]carbamate?
The canonical SMILES for tert-butyl N-[[4-(diethylamino)pyrimidin-2-yl]amino]carbamate is CCN(CC)c1ccnc(NNC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[[4-(diethylamino)pyrimidin-2-yl]amino]carbamate?
The InChIKey is RJWDQCRTWFIFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-6-18(7-2)10-8-9-14-11(15-10)16-17-12(19)20-13(3,4)5/h8-9H,6-7H2,1-5H3,(H,17,19)(H,14,15,16).
What are the key properties of tert-butyl N-[[4-(diethylamino)pyrimidin-2-yl]amino]carbamate?
tert-butyl N-[[4-(diethylamino)pyrimidin-2-yl]amino]carbamate has a molecular weight of 281.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(diethylamino)pyrimidin-2-yl]amino]carbamate is sourced from PubChem (CID 124908621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).