2-methylbutan-2-yl N-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]carbamate

C15H23N5O2 — CID 11536820

IUPAC2-methylbutan-2-yl N-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]carbamate
SMILESCCC(C)(C)OC(=O)NN(CC(C)C)c1ccnc(C#N)n1
InChIInChI=1S/C15H23N5O2/c1-6-15(4,5)22-14(21)19-20(10-11(2)3)13-7-8-17-12(9-16)18-13/h7-8,11H,6,10H2,1-5H3,(H,19,21)
InChIKeyYTYVXQHBQQCOOU-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.64
Rot. Bonds6

About 2-methylbutan-2-yl N-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]carbamate

2-methylbutan-2-yl N-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]carbamate (PubChem CID 11536820) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-methylbutan-2-yl N-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]carbamate.

Molecular Properties

Compound Name2-methylbutan-2-yl N-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]carbamate
PubChem CID11536820
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name2-methylbutan-2-yl N-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]carbamate
SMILESCCC(C)(C)OC(=O)NN(CC(C)C)c1ccnc(C#N)n1
InChIInChI=1S/C15H23N5O2/c1-6-15(4,5)22-14(21)19-20(10-11(2)3)13-7-8-17-12(9-16)18-13/h7-8,11H,6,10H2,1-5H3,(H,19,21)
InChIKeyYTYVXQHBQQCOOU-UHFFFAOYSA-N
XLogP2.64
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl N-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]carbamate?
The IUPAC name of 2-methylbutan-2-yl N-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]carbamate (CID 11536820) is 2-methylbutan-2-yl N-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]carbamate.
What is the SMILES notation for 2-methylbutan-2-yl N-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]carbamate?
The canonical SMILES for 2-methylbutan-2-yl N-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]carbamate is CCC(C)(C)OC(=O)NN(CC(C)C)c1ccnc(C#N)n1.
What is the InChIKey of 2-methylbutan-2-yl N-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]carbamate?
The InChIKey is YTYVXQHBQQCOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-6-15(4,5)22-14(21)19-20(10-11(2)3)13-7-8-17-12(9-16)18-13/h7-8,11H,6,10H2,1-5H3,(H,19,21).
What are the key properties of 2-methylbutan-2-yl N-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]carbamate?
2-methylbutan-2-yl N-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]carbamate has a molecular weight of 305.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl N-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]carbamate is sourced from PubChem (CID 11536820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).